Compound Identification
SMILES
CC(C)(CO)NC(=O)C1=C(F)C=C(C=C1)C1OCC2(CC2C2CCN(CC2)C2=NC=C(Cl)C=N2)CO1
InChIKey
InChIKey=IRTSDPHUURSWDL-UHFFFAOYSA-N
Formula
C26H32ClFN4O4
Mass
519.01
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Halopyrimidines Fluorobenzenes 1,3-dioxanes Piperidines Aryl chlorides Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Primary alcohols Organofluorides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Aminopyrimidine - Halobenzene - Halopyrimidine - Fluorobenzene - Meta-dioxane - Aryl chloride - Aryl halide - Pyrimidine - Aryl fluoride - Piperidine - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available