Compound Identification
SMILES
C[C@H]1C[C@@H](CCN1)C1=C(N)C(NC(=O)C2=CC=C(F)C=C2)=NC=C1
InChIKey
InChIKey=MROJEMHTMIDKFW-WCQYABFASA-N
Formula
C18H21FN4O
Mass
328.391
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 Benzoyl derivatives Aminopyridines and derivatives Aralkylamines Fluorobenzenes Piperidines Aryl fluorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Dialkylamines Primary amines Organic oxides Organofluorides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Aminopyridine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Piperidine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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