Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)N1CCN(CC2=CC=CC=N2)CC1
InChIKey
InChIKey=AHZZRGFDOWIOBL-UHFFFAOYSA-N
Formula
C17H18ClN3O
Mass
315.8
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 2-pyridylmethylamines Benzoyl derivatives Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - 2-pyridylmethylamine - Benzoyl - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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