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

ChEBI IDCHEBI:64217
ChEBI NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
Stars
ASCII NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
DefinitionA 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.
Last Modified13 August 2021
SubmitterSteve
DownloadsMolfile
FormulaC21H26ClN3O2
Net Charge0
Average Mass387.911
Monoisotopic Mass387.17135
SMILESCNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl
InChIInChI=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)
InChIKeyKRVOJOCLBAAKSJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 monomethoxybenzene (CHEBI:25235)
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a secondary amino compound (CHEBI:50995)
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a secondary carboxamide (CHEBI:140325)
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide (CHEBI:64217) is a substituted aniline (CHEBI:48975)
Incoming Relation(s)
(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)benzamideChEBI
Manual XrefsDatabases
LSM-1726LINCS
Registry NumbersSources
Reaxys:8349928Reaxys
CAS:70325-83-6ChemIDplus