Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N=C(C)N=C1C(C)C)C(=O)N1CCN(C(C)C1)C(=O)C1=CC=CC=C1F

InChIKey

InChIKey=PCLCAQASPIQVPH-UHFFFAOYSA-N

Formula

C23H27FN4O4

Mass

442.491

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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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyrimidine - Heteroaromatic compound - Methyl ester - Vinylogous halide - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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