Structure Information
Structure

Compound Identification

SMILES

CC1=NOC(NC(=O)NC2=CC=CC=C2F)=C1C#N

InChIKey

InChIKey=XKXNHDFGHFCRBG-UHFFFAOYSA-N

Formula

C12H9FN4O2

Mass

260.228

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-phenylurea - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Urea - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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