Structure Information
Structure

Compound Identification

SMILES

CNC1=NC(NC2=C(Cl)C=C(C(=O)N3CCOCC3)C(C)=C2)=NC=C1C(F)(F)F

InChIKey

InChIKey=CGELVESSCKWNHU-UHFFFAOYSA-N

Formula

C18H19ClF3N5O2

Mass

429.83

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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 heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - O-toluamide - Toluamide - Aniline or substituted anilines - Benzoyl - Aminopyrimidine - Chlorobenzene - Toluene - Halobenzene - Morpholine - Imidolactam - Aryl chloride - Pyrimidine - Oxazinane - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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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