N-(2-{2-[(4-fluorophenyl)methyl]morpholin-4-yl}-2-oxoethyl)acetamide

• ChemBase ID: 338861
• Molecular Formular: C15H19FN2O3
• Molecular Mass: 294.3213632
• Monoisotopic Mass: 294.1379707
• SMILES: N1(C(=O)CNC(=O)C)CC(OCC1)Cc1ccc(F)cc1
• Canonical SMILES: O=C(N1CCOC(C1)Cc1ccc(cc1)F)CNC(=O)C
• InChI: InChI=1S/C15H19FN2O3/c1-11(19)17-9-15(20)18-6-7-21-14(10-18)8-12-2-4-13(16)5-3-12/h2-5,14H,6-10H2,1H3,(H,17,19)
• InChIKey: YDQQDWQDNFJZDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{2-[(4-fluorophenyl)methyl]morpholin-4-yl}-2-oxoethyl)acetamide
• IUPAC Traditional name: N-(2-{2-[(4-fluorophenyl)methyl]morpholin-4-yl}-2-oxoethyl)acetamide
• Synonyms: N-{2-[2-(4-fluorobenzyl)-4-morpholinyl]-2-oxoethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.898679
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3088834
• LogD (pH = 7.4): 0.3088822
• Log P: 0.30888343
• Molar Refractivity: 75.3915 cm^3
• Polarizability: 29.014017 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.14
• LOG S: -1.85
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4