Molecule ID: 4452

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

Description: The molecule 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 N-alkylpyrrolidine, a member of benzamides, a tertiary amino compound and a member of monochlorobenzenes.

SMILES: CNc1cc(OC)c(C(O)=NC2CCN(Cc3ccccc3)C2C)cc1Cl

SELFIES: [C][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][=N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][C][=C][Ring2][Ring1][Branch2][Cl]

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)

Molecular Properties:
- Polar Surface Area: 53.6 Ų
- LogP: 3.9