Compound Identification
SMILES
CC1=C(Cl)C(C(=O)N2CCOC(CON3N=NC4=C3N=CC=C4)C2)=C(F)C=C1
InChIKey
InChIKey=ISXIDCDXJNBBNP-UHFFFAOYSA-N
Formula
C18H17ClFN5O3
Mass
405.81
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 Triazolopyridines Benzamides Morpholine carboxylic acids and derivatives Benzoyl derivatives Chlorobenzenes Fluorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Triazoles Vinylogous halides Heteroaromatic compounds Tertiary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-dialkyl-m-toluamide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Triazolopyridine - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Fluorobenzene - Aryl fluoride - Aryl chloride - Morpholine - Pyridine - Oxazinane - Aryl halide - Vinylogous halide - 1,2,3-triazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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