N-(2,5-difluorophenyl)-2-{4-[5-(methoxymethyl)furan-2-carbonyl]morpholin-3-yl}acetamide

• ChemBase ID: 537549
• Molecular Formular: C19H20F2N2O5
• Molecular Mass: 394.3693064
• Monoisotopic Mass: 394.13402819
• SMILES: C(=O)(N1C(CC(=O)Nc2cc(ccc2F)F)COCC1)c1oc(cc1)COC
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCOCC1CC(=O)Nc1cc(F)ccc1F
• InChI: InChI=1S/C19H20F2N2O5/c1-26-11-14-3-5-17(28-14)19(25)23-6-7-27-10-13(23)9-18(24)22-16-8-12(20)2-4-15(16)21/h2-5,8,13H,6-7,9-11H2,1H3,(H,22,24)
• InChIKey: GEYMIAFEGSAIHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-difluorophenyl)-2-{4-[5-(methoxymethyl)furan-2-carbonyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-(2,5-difluorophenyl)-2-{4-[5-(methoxymethyl)furan-2-carbonyl]morpholin-3-yl}acetamide
• Synonyms: N-(2,5-difluorophenyl)-2-{4-[5-(methoxymethyl)-2-furoyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 11.654436
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4032309
• LogD (pH = 7.4): 1.4032083
• Log P: 1.4032311
• Molar Refractivity: 97.0041 cm^3
• Polarizability: 35.79788 Å^3
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 6

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.08
• LOG S: -3.0
• Polar Surface Area: 81.01 Å^2
• Rotatable Bonds: 6