Compound Identification
SMILES
CC[C@H](C)NC(=O)[C@H]1CS[C@@H](N1C(=O)C1=CC=C(C)C=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=XPJPGIUOTLXHNP-VQPPSCEASA-N
Formula
C22H25FN2O2S
Mass
400.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
p-Toluamides
- Level 7 N,N-dialkyl-p-toluamides
-
Level 6
p-Toluamides
-
Level 5
Toluamides
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Toluamides - p-Toluamides
Direct Parent
N,N-dialkyl-p-toluamides
Alternative Parents
Alpha amino acids and derivatives Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-p-toluamide - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-p-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available