N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 787000
• Molecular Formular: C21H23FN2O2
• Molecular Mass: 354.4179232
• Monoisotopic Mass: 354.17435621
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCC(c1c(F)cccc1)O
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCC(c1ccccc1F)O
• InChI: InChI=1S/C21H23FN2O2/c1-12-8-13(2)21-17(9-12)16(14(3)24-21)10-20(26)23-11-19(25)15-6-4-5-7-18(15)22/h4-9,19,24-25H,10-11H2,1-3H3,(H,23,26)
• InChIKey: VIJFNPHTFIBBSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.721831
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 3.5897338
• LogD (pH = 7.4): 3.5897336
• Log P: 3.5897338
• Molar Refractivity: 101.1946 cm^3
• Polarizability: 39.24713 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.14
• LOG S: -4.47
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 5