N-[4-({2-[(2-chlorophenyl)methyl]morpholin-4-yl}methyl)phenyl]acetamide

• ChemBase ID: 834533
• Molecular Formular: C20H23ClN2O2
• Molecular Mass: 358.86182
• Monoisotopic Mass: 358.14480567
• SMILES: N1(CC(Cc2c(Cl)cccc2)OCC1)Cc1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN1CCOC(C1)Cc1ccccc1Cl
• InChI: InChI=1S/C20H23ClN2O2/c1-15(24)22-18-8-6-16(7-9-18)13-23-10-11-25-19(14-23)12-17-4-2-3-5-20(17)21/h2-9,19H,10-14H2,1H3,(H,22,24)
• InChIKey: GTGMRMCAJFVEAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({2-[(2-chlorophenyl)methyl]morpholin-4-yl}methyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-({2-[(2-chlorophenyl)methyl]morpholin-4-yl}methyl)phenyl]acetamide
• Synonyms: N-(4-{[2-(2-chlorobenzyl)-4-morpholinyl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355078
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.606577
• LogD (pH = 7.4): 3.5635788
• Log P: 3.6107986
• Molar Refractivity: 102.3808 cm^3
• Polarizability: 39.12031 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.71
• LOG S: -3.86
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5