Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)NC1=C(N=CC(=C1)C(=O)NC1CC1)N1CCC(CC(=O)N2CCCNCC2)CC1
InChIKey
InChIKey=HZRIALVBRQTAJD-UHFFFAOYSA-N
Formula
C28H35ClN6O3
Mass
539.08
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Nicotinamides Benzoyl derivatives Dialkylarylamines Chlorobenzenes 1,4-diazepanes Aminopyridines and derivatives Imidolactams Aryl chlorides Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Nicotinamide - Dialkylarylamine - Benzoyl - Diazepane - Halobenzene - 1,4-diazepane - Aminopyridine - Chlorobenzene - Imidolactam - Aryl halide - Pyridine - Piperidine - Aryl chloride - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic 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