N-[(2,4-difluorophenyl)methyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 821184
• Molecular Formular: C16H22F2N2O2
• Molecular Mass: 312.3548864
• Monoisotopic Mass: 312.16493439
• SMILES: N1(CC(CC(=O)NCc2c(cc(cc2)F)F)OCC1)C(C)C
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCc1ccc(cc1F)F
• InChI: InChI=1S/C16H22F2N2O2/c1-11(2)20-5-6-22-14(10-20)8-16(21)19-9-12-3-4-13(17)7-15(12)18/h3-4,7,11,14H,5-6,8-10H2,1-2H3,(H,19,21)
• InChIKey: IAJDHHLRSNFJDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198096
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1267737
• LogD (pH = 7.4): 1.5427067
• Log P: 1.9464256
• Molar Refractivity: 80.4485 cm^3
• Polarizability: 30.828392 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: 1.41
• LOG S: -2.68
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5