Compound Identification
SMILES
NC1=CC(F)=C(F)C=C1C(=O)NCC(=O)NCC1CCN(CC2=CC=C(Cl)C=C2)C1
InChIKey
InChIKey=KYARXIKYALKCTG-UHFFFAOYSA-N
Formula
C21H23ClF2N4O2
Mass
436.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides 2-aminobenzamides 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Anthranilamides Phenylmethylamines Aniline and substituted anilines Benzoyl derivatives Benzylamines Aralkylamines Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides N-alkylpyrrolidines Vinylogous amides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organofluorides Organopnictogen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 2-aminobenzamide - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Benzoyl - Halobenzene - Chlorobenzene - Fluorobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organochloride - Organic nitrogen compound - Amine - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - 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