Structure Information
Structure

Compound Identification

SMILES

C[C@H]1C[C@@H](CCN1)C1=C(N)C(NC(=O)C2=CC=C(F)C=C2)=NC=C1

InChIKey

InChIKey=MROJEMHTMIDKFW-WCQYABFASA-N

Formula

C18H21FN4O

Mass

328.391

Export to:

JSON SDF CSV

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 - Aminopyridine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organohalogen compound - Organofluoride - 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

Previous Back Next