Compound Identification
SMILES
OC(=O)C(F)(F)F.CN(CC1=CC=C(C=C1)C#N)C1CCN(CC1)C1=NC=CC(NC(=O)C2=CC=C(F)C=C2)=C1
InChIKey
InChIKey=PISACBIDZWNMDK-UHFFFAOYSA-N
Formula
C28H27F4N5O3
Mass
557.55
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
Benzamides Benzonitriles Benzoyl derivatives Phenylmethylamines Benzylamines Dialkylarylamines Aminopiperidines Aminopyridines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides Imidolactams Alpha-halocarboxylic acids Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Alkyl fluorides Carbonyl compounds
Molecular Framework
Not available
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzylamine - Benzoyl - Benzonitrile - Phenylmethylamine - Dialkylarylamine - Halobenzene - Fluorobenzene - Aminopyridine - Aralkylamine - 4-aminopiperidine - Pyridine - Piperidine - Aryl halide - Aryl fluoride - Imidolactam - Heteroaromatic compound - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Nitrile - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Organohalogen compound - Carbonyl group - Cyanide - Organic oxide - Amine - Hydrocarbon derivative - Organic oxygen compound - 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