Compound Identification
SMILES
CN(CCO)C(=O)C1=CC(F)=C(NC2=NC=NC3=C2C(F)=CN3C2CCN(CC2)C2=NC=C(C=N2)C2CC2)C=C1
InChIKey
InChIKey=DROYIXSVDPMNQE-UHFFFAOYSA-N
Formula
C28H30F2N8O2
Mass
548.599
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
3-halobenzoic acids and derivatives
Alternative Parents
Pyrrolo[2,3-d]pyrimidines Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Substituted pyrroles Aryl fluorides Piperidines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Secondary amines Alkanolamines Organic oxides Organofluorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Substituted pyrrole - Imidolactam - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Secondary amine - Alkanolamine - Carboxylic acid derivative - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available