Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)NNC1CC(=O)N(C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=XIRDVHHAIJYDCN-UHFFFAOYSA-N
Formula
C17H13BrClN3O3
Mass
422.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
3-halobenzoic acids and derivatives Alpha amino acids and derivatives Benzoyl derivatives Bromobenzenes Chlorobenzenes Pyrrolidine-2-ones Aryl bromides Aryl chlorides N-substituted carboxylic acid imides Pyrroles Dicarboximides Carboxylic acid hydrazides Lactams Azacyclic compounds Carbonyl compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Pyrrole - Dicarboximide - Carboxylic acid imide - Lactam - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available