Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(Cl)C=CC(Cl)=C1C(=O)NCCN1CCC(CC1)C1=NOC2=C1C=CC(F)=C2

InChIKey

InChIKey=HHHSCEKZPAVLGS-UHFFFAOYSA-N

Formula

C22H21Cl2FN4O3

Mass

479.33

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzisoxazole - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Vinylogous halide - Isoxazole - Tertiary amine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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