Compound Identification
SMILES
OC1=C(C=C(C[C@@H](CC(=O)N2CCC(CC2)N2CCC3=CC=CC=C3NC2=O)C(=O)N2CCC(CC2)C2CCNCC2)C=C1Cl)C(F)(F)F
InChIKey
InChIKey=TUDGXRIQHQDKNH-MHZLTWQESA-N
Formula
C36H45ClF3N5O4
Mass
704.23
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
N-acylpiperidines O-chlorophenols Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Ureas Tertiary amines Amino acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - N-acyl-piperidine - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Urea - Tertiary amine - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alkyl fluoride - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organofluoride - 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