CHEBI:64217 - N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
ChEBI ID CHEBI:64217
ChEBI ASCII Name N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
Definition A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H26ClN3O2
Net Charge 0
Average Mass 387.90300
Monoisotopic Mass 387.171
InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)
InChIKey KRVOJOCLBAAKSJ-UHFFFAOYSA-N
SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a N-alkylpyrrolidine (CHEBI:46775)
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a benzamides (CHEBI:22702)
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a monochlorobenzenes (CHEBI:83403)
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a tertiary amino compound (CHEBI:50996)
Incoming (2R,3R)-nemonapride (CHEBI:64219) is a N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217)
(2S,3S)-nemonapride (CHEBI:64218) is a N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217)
IUPAC Name
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
Synonym Source
5-Chloro-2-methoxy-4-(methylamino)-N-(2-methyl-1-(phenylmethyl)-3-pyrrolidinyl)benzamide ChEBI
Manual Xref Database
LSM-1726 LINCS
View more database links
Registry Numbers Types Sources
70325-83-6 CAS Registry Number ChemIDplus
8349928 Reaxys Registry Number Reaxys
Last Modified
24 February 2016