<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4584</id>
  <title>T3D4530</title>
  <common-name>Propyzamide</common-name>
  <description>Propyzamide is a solid compound with the formula C12H11Cl2NO and an average molecular weight of 256.13 g/mol. Propyzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous substance is used industrially as a biocide, herbicide (PMC10058801, PMC12882113), and pesticide (PMC11407745), as well as a degradant or impurity (PMC10058801, PMC12882113).

The compound is present in polypropylene and has been recorded in six sources: building and construction materials such as floors and fencing, drinking water and water supply, radio transmission systems within electrical and electronic equipment, cigar cigarettes in household cleaning and consumer products, and molasses and the treatment of molasses in food processing. The recorded route of exposure is oral. Propyzamide interacts with ten recorded protein targets, including the urokinase plasminogen activator surface receptor (PLAUR), collagen alpha-1(III) chain (COL3A1), ATP-dependent translocase ABCB1, and the broad substrate specificity ATP-binding cassette transporter ABCG2, among six other proteins.</description>
  <cas>23950-58-5</cas>
  <pubchem-id>32154</pubchem-id>
  <chemical-formula>C12H11Cl2NO</chemical-formula>
  <weight>256.12</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>LD50 (oral, male rat) = 8350 mg/kg bw

LD50 (oral, female rat) = 5620 mg/kg bw</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity>LD50 (oral, male rat) = 8350 mg/kg bw 	
LD50 (oral, female rat) = 5620 mg/kg bw 	</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Propyzamide is pratically non-toxic to mammals on an acute oral exposure basis., however a 2-generation reproduction study in rats found that propyzamide caused effects on both adult and offspring body size.</health-effects>
  <symptoms>Propyzamide causes local irritation when applied to the skin.</symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T06:51:45Z</created-at>
  <updated-at type="dateTime">2026-08-18T15:53:03Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C14333</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C#C</moldb-smiles>
  <moldb-formula>C12H11Cl2NO</moldb-formula>
  <moldb-inchi>InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)</moldb-inchi>
  <moldb-inchikey>PHNUZKMIPFFYSO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">256.128</moldb-average-mass>
  <moldb-mono-mass type="decimal">255.021769393</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL283487</chembl-id>
  <chemspider-id>29822</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003490</chemdb-id>
  <dsstox-id>DTXSID2020420</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000560</susdat-id>
  <iupac>3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide</iupac>
  <moldb-polar-surface-area>29.1</moldb-polar-surface-area>
  <moldb-refractivity>66.2799</moldb-refractivity>
  <moldb-polarizability>25.476751401615406</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>14.20743055120656</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-1.3343074927102117</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.24</moldb-alogps-logp>
  <moldb-alogps-logs>-4.45</moldb-alogps-logs>
  <moldb-alogps-solubility>9.00e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer">572</paper-count>
  <sync-id>CED0010556</sync-id>
  <structure-inchikey>PHNUZKMIPFFYSO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000800000000000000000000000000000000020000000008000000000000000000000020000000000000000024800000000000000000000200000a0000000000000000000000000000000010000000000000000101000000010000000000000020000000000000000000040000000000000004000000080000000000000000000100000000000000000000000000000000000084000000000000000000000000000000000000000000010000000000000000000000000000010000000000000001000000000000000000000000000200040000000000400000000000000000000000000400000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������h��������(�������(������@(������@h�������@(������� �����@h�������@(������� �����@h��������(�������h������������������ ��(��� ��h���h��	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:20Z</structure-indexed-at>
</compound>
