Structure Information
Structure

Compound Identification

SMILES

ClC1=C(C=C(I)C=C1)C(=O)NC1CN2CCC1CC2

InChIKey

InChIKey=PXOHCABTTCQPQN-UHFFFAOYSA-N

Formula

C14H16ClIN2O

Mass

390.65

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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 - Quinuclidine - Benzoyl - Iodobenzene - Halobenzene - Chlorobenzene - Piperidine - N-acyl-amine - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Iodoalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Amine - 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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