2-{[2-(1-Pyrrolidinyl)-5-(trifluoromethyl)anilino]carbonyl}benzoic acid (CHEM060491)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-03 02:47:46 UTC | ||||||||
| Update Date | 2026-04-03 02:47:46 UTC | ||||||||
| Accession Number | CHEM060491 | ||||||||
| Identification | |||||||||
| Common Name | 2-{[2-(1-Pyrrolidinyl)-5-(trifluoromethyl)anilino]carbonyl}benzoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-{[2-(1-Pyrrolidinyl)-5-(trifluoromethyl)anilino]carbonyl}benzoic acid belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is categorized under the superclass of benzenoids and has the chemical formula C19H17F3N2O3. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C19H17F3N2O3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 378.119 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/C19H17F3N2O3/c20-19(21,22)12-7-8-16(24-9-3-4-10-24)15(11-12)23-17(25)13-5-1-2-6-14(13)18(26)27/h1-2,5-8,11H,3-4,9-10H2,(H,23,25)(H,26,27) | ||||||||
| InChI Key | AZTAALUEPVXZTQ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Benzenoids | ||||||||
| Class | Benzene and substituted derivatives | ||||||||
| Sub Class | Anilides | ||||||||
| Direct Parent | Benzanilides | ||||||||
| Alternative Parents |
| ||||||||
| Substituents |
| ||||||||
| 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 |
| ||||||||
| 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 | |||||||||
| Not Available | |||||||||
| 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 | Not Available | ||||||||
| PubChem Compound ID | 2814807 | ||||||||
| 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 | ||||||||
