2-benzyl-4-(2-chlorobenzoyl)morpholine

• ChemBase ID: 679928
• Molecular Formular: C18H18ClNO2
• Molecular Mass: 315.79402
• Monoisotopic Mass: 315.1026065
• SMILES: C(=O)(N1CC(OCC1)Cc1ccccc1)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1C(=O)N1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C18H18ClNO2/c19-17-9-5-4-8-16(17)18(21)20-10-11-22-15(13-20)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2
• InChIKey: WVFBHFRSGSJAOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-4-(2-chlorobenzoyl)morpholine
• IUPAC Traditional name: 2-benzyl-4-(2-chlorobenzoyl)morpholine
• Synonyms: 2-benzyl-4-(2-chlorobenzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7296839
• LogD (pH = 7.4): 3.7296839
• Log P: 3.7296839
• Molar Refractivity: 87.8469 cm^3
• Polarizability: 33.804924 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.65
• LOG S: -4.41
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3