N4-(2,5-difluorophenyl)morpholine-2,4-dicarboxamide

• ChemBase ID: 743438
• Molecular Formular: C12H13F2N3O3
• Molecular Mass: 285.2467264
• Monoisotopic Mass: 285.09249773
• SMILES: C(=O)(N1CC(C(=O)N)OCC1)Nc1cc(ccc1F)F
• Canonical SMILES: NC(=O)C1OCCN(C1)C(=O)Nc1cc(F)ccc1F
• InChI: InChI=1S/C12H13F2N3O3/c13-7-1-2-8(14)9(5-7)16-12(19)17-3-4-20-10(6-17)11(15)18/h1-2,5,10H,3-4,6H2,(H2,15,18)(H,16,19)
• InChIKey: YVRQEHZIOSVVIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-(2,5-difluorophenyl)morpholine-2,4-dicarboxamide
• IUPAC Traditional name: N4-(2,5-difluorophenyl)morpholine-2,4-dicarboxamide
• Synonyms: N~4~-(2,5-difluorophenyl)morpholine-2,4-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.173515
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.27466232
• LogD (pH = 7.4): 0.27459395
• Log P: 0.27466318
• Molar Refractivity: 66.5505 cm^3
• Polarizability: 24.514519 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.45
• LOG S: -2.21
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 2