Compound Identification
SMILES
O[C@H](CNC(=O)NC1=C(F)C=C(C=C1)C(=O)N1CCN(CC2=CC=C(C=C2)C(O)(C(F)(F)F)C(F)(F)F)CC1)C1=CC=CC=C1
InChIKey
InChIKey=LHDJFWIVSBNYLO-RUZDIDTESA-N
Formula
C30H29F7N4O4
Mass
642.575
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
3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Tertiary alcohols Tertiary carboxylic acid amides Fluorohydrins Secondary alcohols Ureas Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Aromatic alcohols Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylmethylamine - Benzoyl - Benzylamine - Fluorobenzene - Aralkylamine - Halobenzene - N-alkylpiperazine - Aryl halide - Piperazine - 1,4-diazinane - Aryl fluoride - Tertiary carboxylic acid amide - Tertiary alcohol - Amino acid or derivatives - Fluorohydrin - Halohydrin - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Urea - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - 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