Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ONOSZEDTAOVFDQ-UHFFFAOYSA-N

Formula

C21H17ClFN3O3

Mass

413.83

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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

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