N-[1-(2,5-difluorophenyl)cyclopropyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 409852
• Molecular Formular: C18H24F2N2O2
• Molecular Mass: 338.3921664
• Monoisotopic Mass: 338.18058446
• SMILES: C1(c2c(ccc(c2)F)F)(NC(=O)CC2CN(C(C)C)CCO2)CC1
• Canonical SMILES: O=C(NC1(CC1)c1cc(F)ccc1F)CC1OCCN(C1)C(C)C
• InChI: InChI=1S/C18H24F2N2O2/c1-12(2)22-7-8-24-14(11-22)10-17(23)21-18(5-6-18)15-9-13(19)3-4-16(15)20/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H,21,23)
• InChIKey: HUZRDAWIJWWQJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,5-difluorophenyl)cyclopropyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-[1-(2,5-difluorophenyl)cyclopropyl]-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-[1-(2,5-difluorophenyl)cyclopropyl]-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.503829
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26255992
• LogD (pH = 7.4): 1.932036
• Log P: 2.3357587
• Molar Refractivity: 87.5493 cm^3
• Polarizability: 33.772404 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.45
• LOG S: -3.76
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5