N-[1-(2,5-difluorophenyl)cyclopropyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 833425
• Molecular Formular: C15H15F2N3O3
• Molecular Mass: 323.2947064
• Monoisotopic Mass: 323.1081478
• SMILES: C1(c2c(ccc(c2)F)F)(NC(=O)CCC2C(=O)NC(=O)N2)CC1
• Canonical SMILES: O=C(NC1(CC1)c1cc(F)ccc1F)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C15H15F2N3O3/c16-8-1-2-10(17)9(7-8)15(5-6-15)20-12(21)4-3-11-13(22)19-14(23)18-11/h1-2,7,11H,3-6H2,(H,20,21)(H2,18,19,22,23)
• InChIKey: ZLDYJSOTPPWBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,5-difluorophenyl)cyclopropyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-[1-(2,5-difluorophenyl)cyclopropyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-[1-(2,5-difluorophenyl)cyclopropyl]-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.368829
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.5812786
• LogD (pH = 7.4): 0.5767494
• Log P: 0.58133674
• Molar Refractivity: 75.1955 cm^3
• Polarizability: 28.654066 Å^3
• Polar Surface Area: 87.3 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: 0.57
• LOG S: -2.04
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 5