N-(4-fluoro-2-methylphenyl)-2-{[3-(oxolan-3-yl)propyl]amino}acetamide

• ChemBase ID: 487397
• Molecular Formular: C16H23FN2O2
• Molecular Mass: 294.3644232
• Monoisotopic Mass: 294.17435621
• SMILES: N(c1c(cc(cc1)F)C)C(=O)CNCCCC1COCC1
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CNCCCC1COCC1
• InChI: InChI=1S/C16H23FN2O2/c1-12-9-14(17)4-5-15(12)19-16(20)10-18-7-2-3-13-6-8-21-11-13/h4-5,9,13,18H,2-3,6-8,10-11H2,1H3,(H,19,20)
• InChIKey: AUXXARODENQNMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-2-{[3-(oxolan-3-yl)propyl]amino}acetamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-2-{[3-(oxolan-3-yl)propyl]amino}acetamide
• Synonyms: N-(4-fluoro-2-methylphenyl)-2-{[3-(tetrahydrofuran-3-yl)propyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.865258
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.69663906
• LogD (pH = 7.4): 0.8910849
• Log P: 2.2418857
• Molar Refractivity: 82.2074 cm^3
• Polarizability: 31.022404 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.72
• LOG S: -2.82
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7