Compound Identification
SMILES
OC(=O)C(F)(F)F.CC(C)CN(NC(=O)NC1=CC=CC(=C1)C(F)(F)F)C1=NC(=NC=C1)C#N
InChIKey
InChIKey=KSBGNWQVOFVCLS-UHFFFAOYSA-N
Formula
C19H18F6N6O3
Mass
492.382
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
-
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
Trifluoromethylbenzenes Pyrimidines and pyrimidine derivatives Imidolactams Semicarbazides Heteroaromatic compounds Alpha-halocarboxylic acids Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - N-phenylurea - Pyrimidine - Imidolactam - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Semicarbazide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Cyanide - Organic nitrogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - 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