2-(2-chlorophenyl)-N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylacetamide

• ChemBase ID: 491833
• Molecular Formular: C23H28Cl2N2O
• Molecular Mass: 419.38722
• Monoisotopic Mass: 418.15786889
• SMILES: C(=O)(N(CC1CCN(CCc2ccc(Cl)cc2)CC1)C)Cc1c(Cl)cccc1
• Canonical SMILES: Clc1ccc(cc1)CCN1CCC(CC1)CN(C(=O)Cc1ccccc1Cl)C
• InChI: InChI=1S/C23H28Cl2N2O/c1-26(23(28)16-20-4-2-3-5-22(20)25)17-19-11-14-27(15-12-19)13-10-18-6-8-21(24)9-7-18/h2-9,19H,10-17H2,1H3
• InChIKey: QEIWIJIGEIVPOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylacetamide
• IUPAC Traditional name: 2-(2-chlorophenyl)-N-({1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl}methyl)-N-methylacetamide
• Synonyms: 2-(2-chlorophenyl)-N-({1-[2-(4-chlorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.742141
• LogD (pH = 7.4): 3.3190944
• Log P: 4.9600344
• Molar Refractivity: 118.2275 cm^3
• Polarizability: 45.828594 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 5.0
• LOG S: -5.16
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7