2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide

• ChemBase ID: 624124
• Molecular Formular: C17H21FN4O3
• Molecular Mass: 348.3720432
• Monoisotopic Mass: 348.15976877
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCC(c1c(F)cccc1)N1CCCC1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCC(c1ccccc1F)N1CCCC1
• InChI: InChI=1S/C17H21FN4O3/c18-13-6-2-1-5-12(13)14(21-7-3-4-8-21)9-19-15(23)11-22-16(24)10-20-17(22)25/h1-2,5-6,14H,3-4,7-11H2,(H,19,23)(H,20,25)
• InChIKey: JPHMEYRXSWWHJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[2-(2-fluorophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.313613
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0890002
• LogD (pH = 7.4): -0.4070511
• Log P: 0.01955647
• Molar Refractivity: 88.8056 cm^3
• Polarizability: 34.035393 Å^3
• Polar Surface Area: 81.75 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: -0.25
• LOG S: -2.84
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 6