2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(4-fluorophenyl)formamido]ethyl}acetamide

• ChemBase ID: 511428
• Molecular Formular: C16H19FN4O4
• Molecular Mass: 350.3448632
• Monoisotopic Mass: 350.13903333
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)NCCNC(=O)c1ccc(cc1)F)C)C
• Canonical SMILES: Fc1ccc(cc1)C(=O)NCCNC(=O)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C16H19FN4O4/c1-20-12(15(24)21(2)16(20)25)9-13(22)18-7-8-19-14(23)10-3-5-11(17)6-4-10/h3-6,12H,7-9H2,1-2H3,(H,18,22)(H,19,23)
• InChIKey: DFKNAAQQUVWGPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(4-fluorophenyl)formamido]ethyl}acetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(4-fluorophenyl)formamido]ethyl}acetamide
• Synonyms: N-(2-{[(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetyl]amino}ethyl)-4-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.985969
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6404436
• LogD (pH = 7.4): -0.6404435
• Log P: -0.6404434
• Molar Refractivity: 86.3682 cm^3
• Polarizability: 32.495758 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.91
• LOG S: -2.29
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 6