Compound Identification
SMILES
OC(=O)[C@@H](CC(=O)C1=CC=C(Cl)C=C1)NC1=CC=C(F)C=C1
InChIKey
InChIKey=PTTOAHLULPCTIH-CQSZACIVSA-N
Formula
C16H13ClFNO3
Mass
321.73
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
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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 Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines Gamma-keto acids and derivatives Fluorobenzenes Chlorobenzenes Secondary alkylarylamines Aryl fluorides Aryl chlorides Beta-amino ketones Amino acids Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Aromatic homomonocyclic 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