Structure Information
Structure

Compound Identification

SMILES

FC1=C(F)C(F)=C(F)C(=C1)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=CC=CC=C12

InChIKey

InChIKey=REUQOFLJGRBNGW-UHFFFAOYSA-N

Formula

C21H15F4N3O3

Mass

433.363

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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

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Indole or derivatives - Indole - Benzamide - Benzoyl - Aryl ketone - Fluorobenzene - Halobenzene - Aryl halide - Substituted pyrrole - Piperazine - 1,4-diazinane - Aryl fluoride - Vinylogous halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Vinylogous amide - Ketone - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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