Compound Identification
SMILES
CN(CCO)C1=NC(N[C@H]2CC[C@@H](CC2)NC(=O)C2=CC(F)=C(F)C=C2)=NC=C1
InChIKey
InChIKey=AOUSTACLRQMCTK-SHTZXODSSA-N
Formula
C20H25F2N5O2
Mass
405.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Benzamides Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Alkanolamines Azacyclic compounds Organic oxides Organofluorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Alkanolamine - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Primary alcohol - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available