Compound Identification
SMILES
OC(=O)[C@@H](CC(=O)C1=CC=C(Cl)C=C1)NCC1=CN=CC=C1
InChIKey
InChIKey=AKJSULODCDBQFB-CQSZACIVSA-N
Formula
C16H15ClN2O3
Mass
318.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones D-alpha-amino acids Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Chlorobenzenes Aralkylamines Pyridines and derivatives Beta-amino ketones Aryl chlorides Heteroaromatic compounds Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Keto acid - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available