2-(4-chlorophenyl)-N-(2-fluorophenyl)morpholine-4-carboxamide

• ChemBase ID: 523762
• Molecular Formular: C17H16ClFN2O2
• Molecular Mass: 334.7725432
• Monoisotopic Mass: 334.08843366
• SMILES: C(=O)(N1CC(c2ccc(cc2)Cl)OCC1)Nc1c(F)cccc1
• Canonical SMILES: Clc1ccc(cc1)C1OCCN(C1)C(=O)Nc1ccccc1F
• InChI: InChI=1S/C17H16ClFN2O2/c18-13-7-5-12(6-8-13)16-11-21(9-10-23-16)17(22)20-15-4-2-1-3-14(15)19/h1-8,16H,9-11H2,(H,20,22)
• InChIKey: PERVUHHJWHZHOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-N-(2-fluorophenyl)morpholine-4-carboxamide
• IUPAC Traditional name: 2-(4-chlorophenyl)-N-(2-fluorophenyl)morpholine-4-carboxamide
• Synonyms: 2-(4-chlorophenyl)-N-(2-fluorophenyl)morpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.409295
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6372485
• LogD (pH = 7.4): 3.6372087
• Log P: 3.6372492
• Molar Refractivity: 87.7696 cm^3
• Polarizability: 32.993397 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.98
• LOG S: -4.19
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2