Compound Identification
SMILES
C[C@@H](CN1CCC(CC1)N1C(=O)NC2=C1C=CC=C2F)NC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=HVPKELASWXWVPG-AWEZNQCLSA-N
Formula
C22H24ClFN4O2
Mass
430.91
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 Benzimidazoles Benzoyl derivatives Chlorobenzenes Piperidines Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Ureas Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzimidazole - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Urea - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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