2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]acetamide

• ChemBase ID: 347924
• Molecular Formular: C19H23FN2O2
• Molecular Mass: 330.3965232
• Monoisotopic Mass: 330.17435621
• SMILES: c1(C(C(=O)NCCCc2ccc(cc2)O)N(C)C)cc(F)ccc1
• Canonical SMILES: CN(C(c1cccc(c1)F)C(=O)NCCCc1ccc(cc1)O)C
• InChI: InChI=1S/C19H23FN2O2/c1-22(2)18(15-6-3-7-16(20)13-15)19(24)21-12-4-5-14-8-10-17(23)11-9-14/h3,6-11,13,18,23H,4-5,12H2,1-2H3,(H,21,24)
• InChIKey: AUWZVKWZNXKDSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-hydroxyphenyl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.506697
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8994741
• LogD (pH = 7.4): 3.1942325
• Log P: 3.3181553
• Molar Refractivity: 93.3154 cm^3
• Polarizability: 35.79693 Å^3
• Polar Surface Area: 52.57 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: 2.94
• LOG S: -3.54
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 7