Structure Information
Structure

Compound Identification

SMILES

CN1N=C(C(=O)NC2=NN(CC3=C(F)C(F)=CC(F)=C3F)C=C2)C(Br)=C1C

InChIKey

InChIKey=XYPHTZPHGDBJJX-UHFFFAOYSA-N

Formula

C16H12BrF4N5O

Mass

446.204

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Carboxylic acid derivatives

Intermediate Tree Nodes

Carboxylic acid amides

Direct Parent

2-heteroaryl carboxamides

Alternative Parents

Pyrazole-5-carboxamides Fluorobenzenes Imidolactams Aryl fluorides Aryl bromides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.

External Descriptors

Not available

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