Compound Identification
SMILES
COCCN(CC(=O)N1CN(C(=O)C1)C1=CC=C(Cl)C=C1)C(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=NVTYDNMPSWLWQB-UHFFFAOYSA-N
Formula
C22H21ClF3N3O4
Mass
483.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Phenylimidazolidines Trifluoromethylbenzenes Alpha amino acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Imidazolidinones Tertiary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organonitrogen compounds Alkyl fluorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - Phenylimidazolidine - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidazolidinone - Tertiary carboxylic acid amide - Imidazolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organonitrogen compound - Alkyl fluoride - Alkyl halide - Organooxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available