Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)N1C[C@@H]2CC[C@H](C1)C2NCCNC(=O)C1=CC(F)=CC(F)=C1

InChIKey

InChIKey=OFEVSBUPYRINBN-MPYYAJLASA-N

Formula

C19H25F2N3O3

Mass

381.424

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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 heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Piperidinecarboxylic acid - Benzoyl - 4-aminopiperidine - Azepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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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