N-(4-chlorophenyl)-2-phenyl-N-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase ID: 130419
• Molecular Formular: C22H27ClN2O
• Molecular Mass: 370.91558
• Monoisotopic Mass: 370.18119117
• SMILES: Clc1ccc(N(C(=O)Cc2ccccc2)C2CCN(C(C)C)CC2)cc1
• Canonical SMILES: CC(N1CCC(CC1)N(c1ccc(cc1)Cl)C(=O)Cc1ccccc1)C
• InChI: InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3
• InChIKey: XHOJAWVAWFHGHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-chlorophenyl)-2-phenyl-N-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC Traditional name: lorcainide
• Synonyms: Lorcainide

Database IDs

• CAS Number: 59729-31-6
• PubChem SID: 162224698
• PubChem CID: 42884
• ATC CODE: C01BC07
• CHEMBL: 87543
• Chemspider ID: 39116
• KEGG ID: D08020
• Unique Ingredient Identifier: KGJ2T0N7IQ
• Wikipedia Title: Lorcainide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2049559
• LogD (pH = 7.4): 2.86794
• Log P: 4.313596
• Molar Refractivity: 108.1821 cm^3
• Polarizability: 42.198215 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Half Life: 14.3 +/-3.7
• Protein Bound: 78