Compound Identification
SMILES
COC1=NC=C(C=C1)C(C)NC(=O)C1=NC(NC(=O)NC2=CC(F)=C(C)C=C2)=CN1C
InChIKey
InChIKey=XWNNTJXMHNYEGY-UHFFFAOYSA-N
Formula
C21H23FN6O3
Mass
426.452
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
1,2,4-trisubstituted imidazoles 2-heteroaryl carboxamides Toluenes Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - 2-heteroaryl carboxamide - 1,2,4-trisubstituted-imidazole - Trisubstituted imidazole - Alkyl aryl ether - Halobenzene - Fluorobenzene - Toluene - Aryl fluoride - Aryl halide - N-substituted imidazole - Imidolactam - Pyridine - Heteroaromatic compound - Azole - Imidazole - Carboxamide group - Urea - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available