Structure Information
Structure

Compound Identification

SMILES

NC1(CNC(=O)C2=CC=C(Cl)C=C2)CCNCC1

InChIKey

InChIKey=WFXZEFKDZNDALJ-UHFFFAOYSA-N

Formula

C13H18ClN3O

Mass

267.76

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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 heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Benzoyl - 4-aminopiperidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Amine - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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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