Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)[C@H](NC(=O)C1=CC=CO1)NC1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=KRRSUXJGUUZZNE-IBGZPJMESA-N
Formula
C21H17F3N2O3
Mass
402.373
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
Trifluoromethylbenzenes 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines Furoic acid and derivatives Toluenes Secondary alkylarylamines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Trifluoromethylbenzene - 2-heteroaryl carboxamide - Furoic acid or derivatives - Benzoyl - Phenylalkylamine - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Amine - 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