2-(4-fluorophenyl)-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 370430
• Molecular Formular: C27H30FN3O3
• Molecular Mass: 463.5438032
• Monoisotopic Mass: 463.22712006
• SMILES: C(=O)(N(Cc1cc(OCCN2CCOCC2)ccc1)Cc1ncccc1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CC(=O)N(Cc1ccccn1)Cc1cccc(c1)OCCN1CCOCC1
• InChI: InChI=1S/C27H30FN3O3/c28-24-9-7-22(8-10-24)19-27(32)31(21-25-5-1-2-11-29-25)20-23-4-3-6-26(18-23)34-17-14-30-12-15-33-16-13-30/h1-11,18H,12-17,19-21H2
• InChIKey: OCSLWPFLBFILCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-(4-fluorophenyl)-N-{3-[2-(4-morpholinyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1473396
• LogD (pH = 7.4): 3.276971
• Log P: 3.349324
• Molar Refractivity: 129.3005 cm^3
• Polarizability: 50.05255 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.79
• LOG S: -3.77
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 10