Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CN(CC1=CC=C(C=C1)C#N)C1CCN(CC1)C1=NC=CC(NC(=O)C2=CC=C(F)C=C2)=C1

InChIKey

InChIKey=PISACBIDZWNMDK-UHFFFAOYSA-N

Formula

C28H27F4N5O3

Mass

557.55

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

Not available

Substituents

4-halobenzoic acid or derivatives - Benzamide - Benzylamine - Benzoyl - Benzonitrile - Phenylmethylamine - Dialkylarylamine - Halobenzene - Fluorobenzene - Aminopyridine - Aralkylamine - 4-aminopiperidine - Pyridine - Piperidine - Aryl halide - Aryl fluoride - Imidolactam - Heteroaromatic compound - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Nitrile - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Carbonyl group - Cyanide - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen 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