2-(2,4-dioxoimidazolidin-1-yl)-N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}acetamide

• ChemBase ID: 490763
• Molecular Formular: C21H19FN4O3
• Molecular Mass: 394.3989632
• Monoisotopic Mass: 394.14411871
• SMILES: c1([nH]c2c(c1C)cc(CNC(=O)CN1C(=O)NC(=O)C1)cc2)c1c(F)cccc1
• Canonical SMILES: O=C(CN1CC(=O)NC1=O)NCc1ccc2c(c1)c(C)c([nH]2)c1ccccc1F
• InChI: InChI=1S/C21H19FN4O3/c1-12-15-8-13(9-23-18(27)10-26-11-19(28)25-21(26)29)6-7-17(15)24-20(12)14-4-2-3-5-16(14)22/h2-8,24H,9-11H2,1H3,(H,23,27)(H,25,28,29)
• InChIKey: PMSXPVXPVZZEOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dioxoimidazolidin-1-yl)-N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2,4-dioxoimidazolidin-1-yl)-N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}acetamide
• Synonyms: 2-(2,4-dioxoimidazolidin-1-yl)-N-{[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617754
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.7147245
• LogD (pH = 7.4): 1.7121648
• Log P: 1.7147573
• Molar Refractivity: 104.7167 cm^3
• Polarizability: 41.826355 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.4
• LOG S: -4.12
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5