Compound Identification
SMILES
CN(C[C@@H](CCN1CC(C1)N1CCN2C(CCC2=O)C1)C1=CC=C(F)C=C1)C(=O)C1=CC(=CC(Cl)=C1)C(F)(F)F
InChIKey
InChIKey=JKHLRPHILZKGJE-VGOKPJQXSA-N
Formula
C29H33ClF4N4O2
Mass
581.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Aralkylamines Chlorobenzenes Fluorobenzenes N-alkylpiperazines Aryl chlorides Aryl fluorides Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Amino acids and derivatives Azetidines Trialkylamines Lactams Azacyclic compounds Organochlorides Carbonyl compounds Organofluorides Alkyl fluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aralkylamine - N-alkylpiperazine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - N-alkylpyrrolidine - Aryl fluoride - Aryl halide - 1,4-diazinane - 2-pyrrolidone - Pyrrolidone - Piperazine - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organofluoride - Amine - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available