Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H]1CCN(CC2=CC=C(Cl)C=C2)C1
InChIKey
InChIKey=QDQIMFROIBVZCR-LJQANCHMSA-N
Formula
C21H24ClN3O2
Mass
385.89
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 Alpha amino acid amides p-Toluamides Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Amine - Organooxygen compound - Organochloride - 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