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

• ChemBase ID: 694963
• Molecular Formular: C19H23FN2O2
• Molecular Mass: 330.3965232
• Monoisotopic Mass: 330.17435621
• SMILES: C(=O)(C(c1ccc(cc1)F)N(C)C)NCCCc1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)CCCNC(=O)C(c1ccc(cc1)F)N(C)C
• InChI: InChI=1S/C19H23FN2O2/c1-22(2)18(15-7-9-16(20)10-8-15)19(24)21-13-3-4-14-5-11-17(23)12-6-14/h5-12,18,23H,3-4,13H2,1-2H3,(H,21,24)
• InChIKey: SPNQVMRWPIJDHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.507008
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7948186
• LogD (pH = 7.4): 3.1651063
• Log P: 3.3181553
• Molar Refractivity: 93.3154 cm^3
• Polarizability: 35.796947 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