Compound Identification
SMILES
CC[NH+]1CCN(CC1)C1(CNC(=O)C2=CC(Cl)=CC=C2)CCCCC1
InChIKey
InChIKey=BOUGYTCQCSRLDS-UHFFFAOYSA-O
Formula
C20H31ClN3O
Mass
364.94
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 Benzoyl derivatives Chlorobenzenes Cyclohexylamines N-alkylpiperazines Aryl chlorides Quaternary ammonium salts Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Cyclohexylamine - N-alkylpiperazine - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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