Compound Identification
SMILES
CC(C)(C)C(=O)N1CC2=C(NN=C2NC(=O)C2=CC=C(F)C=C2)C11CC1
InChIKey
InChIKey=CYYZHUSXWQRMJJ-UHFFFAOYSA-N
Formula
C19H21FN4O2
Mass
356.401
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Pyrrolopyrazoles Benzoyl derivatives Fluorobenzenes Aryl fluorides Imidolactams Tertiary carboxylic acid amides Pyrroles Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Pyrrolopyrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available