N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

• ChemBase ID: 784944
• Molecular Formular: C21H23FN2O4
• Molecular Mass: 386.4167232
• Monoisotopic Mass: 386.16418545
• SMILES: C1(=O)Nc2c(C1CC(=O)N(CCOc1c(F)cccc1)CC)ccc(c2)OC
• Canonical SMILES: CCN(C(=O)CC1C(=O)Nc2c1ccc(c2)OC)CCOc1ccccc1F
• InChI: InChI=1S/C21H23FN2O4/c1-3-24(10-11-28-19-7-5-4-6-17(19)22)20(25)13-16-15-9-8-14(27-2)12-18(15)23-21(16)26/h4-9,12,16H,3,10-11,13H2,1-2H3,(H,23,26)
• InChIKey: HNLHQPYVPPZMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(6-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetamide
• Synonyms: N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-(6-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.613525
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3656611
• LogD (pH = 7.4): 2.3656585
• Log P: 2.3656611
• Molar Refractivity: 104.0218 cm^3
• Polarizability: 39.223557 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.33
• LOG S: -4.86
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8