Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CC1=CNC2=C1C=C(F)C=C2)NC(=O)C1=CC=CC=C1Br

InChIKey

InChIKey=KZRCHPAIFIIXLZ-INIZCTEOSA-N

Formula

C18H14BrFN2O3

Mass

405.223

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Benzoyl - Halobenzene - Bromobenzene - Aryl fluoride - Aryl bromide - Substituted pyrrole - Aryl halide - Pyrrole - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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