N1-[2-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)ethyl]benzamide (CHEM059894)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 01:56:44 UTC | ||||||||
| Update Date | 2026-04-03 01:56:44 UTC | ||||||||
| Accession Number | CHEM059894 | ||||||||
| Identification | |||||||||
| Common Name | N1-[2-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)ethyl]benzamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | N1-[2-({[3-Chloro-5-(trifluoromethyl)-2-pyridyl]methyl}thio)ethyl]benzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This organic compound is categorized under the superclass of benzenoids and has the chemical formula C16H14Cl1F3N2O1S1. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C16H14Cl1F3N2O1S1 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 374.047 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]ethyl]benzamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C16H14ClF3N2OS/c17-13-8-12(16(18,19)20)9-22-14(13)10-24-7-6-21-15(23)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,21,23) | ||||||||
| InChI Key | DKKSZXAOWOVKQA-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Benzoic acids and derivatives | ||||||||
| Direct Parent | Benzamides | ||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | CHEBI:167831 | ||||||||
| PubChem Compound ID | 2746237 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
