4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]benzamide

• ChemBase ID: 791282
• Molecular Formular: C18H16FN3O4
• Molecular Mass: 357.3357432
• Monoisotopic Mass: 357.11248423
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC(c2ccc(cc2)F)CO)cc1
• Canonical SMILES: OCC(c1ccc(cc1)F)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C18H16FN3O4/c19-13-5-1-11(2-6-13)15(10-23)20-17(25)12-3-7-14(8-4-12)22-9-16(24)21-18(22)26/h1-8,15,23H,9-10H2,(H,20,25)(H,21,24,26)
• InChIKey: FPZBLGHXLKCYLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]benzamide
• Synonyms: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-hydroxyethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064495
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.7424534
• LogD (pH = 7.4): 0.7333746
• Log P: 0.7425705
• Molar Refractivity: 90.487 cm^3
• Polarizability: 34.0329 Å^3
• Polar Surface Area: 98.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.86
• LOG S: -2.54
• Polar Surface Area: 98.74 Å^2
• Rotatable Bonds: 5