2-[4-(2,5-difluorobenzoyl)morpholin-3-yl]-N-(pyridin-3-ylmethyl)acetamide

• ChemBase ID: 709264
• Molecular Formular: C19H19F2N3O3
• Molecular Mass: 375.3692664
• Monoisotopic Mass: 375.13944792
• SMILES: C(=O)(c1c(ccc(c1)F)F)N1C(CC(=O)NCc2cnccc2)COCC1
• Canonical SMILES: O=C(CC1COCCN1C(=O)c1cc(F)ccc1F)NCc1cccnc1
• InChI: InChI=1S/C19H19F2N3O3/c20-14-3-4-17(21)16(8-14)19(26)24-6-7-27-12-15(24)9-18(25)23-11-13-2-1-5-22-10-13/h1-5,8,10,15H,6-7,9,11-12H2,(H,23,25)
• InChIKey: ZFJZMKJFMMPGMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2,5-difluorobenzoyl)morpholin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-[4-(2,5-difluorobenzoyl)morpholin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
• Synonyms: 2-[4-(2,5-difluorobenzoyl)-3-morpholinyl]-N-(3-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.805726
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9638997
• LogD (pH = 7.4): 1.0354251
• Log P: 1.036439
• Molar Refractivity: 94.0659 cm^3
• Polarizability: 35.386982 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.93
• LOG S: -1.15
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5