Compound Identification
SMILES
CC1=C(Cl)C(C(=O)N2CCCN(CC3=CC=C(C=C3)S(C)(=O)=O)CC2)=C(F)C=C1
InChIKey
InChIKey=OEOAGRYQRQVDLZ-UHFFFAOYSA-N
Formula
C21H24ClFN2O3S
Mass
438.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
m-Toluamides
- Level 7 N,N-dialkyl-m-toluamides
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Level 6
m-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 - m-Toluamides
Direct Parent
N,N-dialkyl-m-toluamides
Alternative Parents
2-halobenzoic acids and derivatives Benzamides Benzenesulfonyl compounds Phenylmethylamines Benzoyl derivatives Benzylamines 1,4-diazepanes Aralkylamines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Sulfones Vinylogous halides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-m-toluamide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - 1,4-diazepane - Chlorobenzene - Diazepane - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - Organofluoride - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available