Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC1=C(OC(=O)C2=CC=CC=C2Cl)C=CC2=CC=CC=C12
InChIKey
InChIKey=BKZQKNXHEPCQHX-UHFFFAOYSA-N
Formula
C27H19ClFN3O4
Mass
503.91
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 Phenol esters 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Naphthalenes Benzoic acid esters Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Secondary carboxylic acid amides Carboxylic acid esters Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Phenol ester - Benzoate ester - Benzoyl - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl halide - Aryl fluoride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Aromatic homopolycyclic 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