Compound Identification
SMILES
Cl.COC1=C(C=C(Br)C=C1)C(=O)NCCN1CCC(CC1)C(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=UHUZXHKJAXSBQH-UHFFFAOYSA-N
Formula
C22H25BrClFN2O3
Mass
499.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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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
3-halobenzoic acids and derivatives Benzamides Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fluorobenzenes Piperidines Aryl bromides Aryl fluorides Gamma-amino ketones Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organobromides Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Gamma-aminoketone - Piperidine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - 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