Basic information
- CAS
70325-83-6- Standard SMILES
CNc1cc(OC)c(C(=O)NC2CCN(Cc3ccccc3)C2C)cc1Cl- InChIKey
KRVOJOCLBAAKSJ-UHFFFAOYSA-N- Molecular formula
- C21H26ClN3O2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1713548
Overview
N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide is 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. It is a secondary carboxamide, a member of benzamides, a monomethoxybenzene, a N-alkylpyrrolidine, a substituted aniline, a secondary amino compound and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
- IUPAC
- N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide
- English name
- nemonapride
- Molecular formula
- C21H26ClN3O2
- Molecular weight
- 387.9
Names & synonyms
n-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide70325-83-6CHEBI:642175-Chloro-2-methoxy-4-(methylamino)-N-(2-methyl-1-(phenylmethyl)-3-pyrrolidinyl)benzamideTox21 1109575-Chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamideRefChem:161433KRVOJOCLBAAKSJ-UHFFFAOYSA-N93664-94-9N-(1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamideEmilace; Emonapride;; YM09151; YM09151-2SCHEMBL50209
Show more names
Benzamide, 5-chloro-2-methoxy-4-(methylamino)-N-[2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]-
GTPL983CHEMBL20734SCHEMBL29387146HMS3268C06BDBM50454212L000438SR-01000597492Q6991226
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
LogP4.44
Chemistry & industry
Additional notes
DefinitionChEBI: 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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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