N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 849499
• Molecular Formular: C16H16F2N4O3
• Molecular Mass: 350.3200464
• Monoisotopic Mass: 350.11904683
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCc1c2c([nH]c1C)c(cc(c2)F)F
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCc1c(C)[nH]c2c1cc(F)cc2F
• InChI: InChI=1S/C16H16F2N4O3/c1-8-10(11-4-9(17)5-12(18)15(11)21-8)2-3-19-13(23)7-22-14(24)6-20-16(22)25/h4-5,21H,2-3,6-7H2,1H3,(H,19,23)(H,20,25)
• InChIKey: LMQXCPNACZTPAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.007359
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.26503372
• LogD (pH = 7.4): 0.2650233
• Log P: 0.26503387
• Molar Refractivity: 84.7829 cm^3
• Polarizability: 32.56408 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: 0.37
• LOG S: -2.07
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5