<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4695</id>
  <title>T3D4641</title>
  <common-name>P-Bromophenylacetylurea</common-name>
  <description>P-Bromophenylacetylurea belongs to the phenylacetamides, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous solid has the formula C9H9BrN2O2 and an average molecular weight of 257.08 g/mol. It is further classified as a benzenoid.</description>
  <cas>30241-86-2</cas>
  <pubchem-id>107741</pubchem-id>
  <chemical-formula>C9H9BrN2O2</chemical-formula>
  <weight>257.08</weight>
  <appearance>White powder.</appearance>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <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 nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-08T02:39:19Z</created-at>
  <updated-at type="dateTime">2026-08-25T22:30:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(=N)N=C(O)CC1=CC=C(Br)C=C1</moldb-smiles>
  <moldb-formula>C9H9BrN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H9BrN2O2/c10-7-3-1-6(2-4-7)5-8(13)12-9(11)14/h1-4H,5H2,(H3,11,12,13,14)</moldb-inchi>
  <moldb-inchikey>ICQRYPIUHBIXIF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">257.084</moldb-average-mass>
  <moldb-mono-mass type="decimal">255.984740189</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.6</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>96907</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>CHEM003600</chemdb-id>
  <dsstox-id>DTXSID40184338</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076287</susdat-id>
  <iupac>2-(4-bromophenyl)-N-carbamoylacetamide</iupac>
  <moldb-polar-surface-area>76.67</moldb-polar-surface-area>
  <moldb-refractivity>66.5115</moldb-refractivity>
  <moldb-polarizability>21.03061110381246</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.709521880548157</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>2.433742533084158</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.28</moldb-alogps-logp>
  <moldb-alogps-logs>-3.82</moldb-alogps-logs>
  <moldb-alogps-solubility>3.92e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylacetamides</subklass>
  <paper-count type="integer">28</paper-count>
  <sync-id>CED0029151</sync-id>
  <structure-inchikey>ICQRYPIUHBIXIF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000800000000000000000000000000000000000000000000000000000000200040000000000000044000000000000000000000000000000000000000000000000000000000100800000000000000000000004800000000000000000010000000000000000000000000440020000000000000000000000000000000000000000000080000000000004000000000000000000000000000000000100000000000000000000080000000000000000000000000000000000000000000000000000000000001100004000000000000000000000000220000000000020000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADgAAAIABCABoAAAAAwEBBgAoAAAA
AwQHAGgAAAADAgEHACgAAAADAwYAKAAAAAMECABoAAAAAwEBBgBgAAAAAgIG
QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEIwAgAAAAAQZAaAAA
AAMDAQZAaAAAAAMDAQsAASABAigCAQMgAwQoAgQFIAQGAAYHAAcIaAwICWgM
CQpoDAoLAAoMaAwMDWgMDQdoDEIBAAAABgcNDAoJCBcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:24Z</structure-indexed-at>
</compound>
