Compound Identification
SMILES
CN1C(C)=C(C=NNC(=O)CNC(=O)C2=CC=C(Cl)C=C2)C2=CC=CC=C12
InChIKey
InChIKey=AXDHTKXDJBVCMP-UHFFFAOYSA-N
Formula
C20H19ClN4O2
Mass
382.85
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
N-acyl-alpha amino acids and derivatives 4-halobenzoic acids and derivatives N-alkylindoles Indoles Benzoyl derivatives Chlorobenzenes Aryl chlorides N-methylpyrroles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Indole or derivatives - Indole - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - N-methylpyrrole - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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