N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide

• ChemBase ID: 448972
• Molecular Formular: C14H15F2N3O4
• Molecular Mass: 327.2834064
• Monoisotopic Mass: 327.10306242
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCc1c(c(c(cc1)OC)F)F
• Canonical SMILES: COc1ccc(c(c1F)F)CNC(=O)CCC1NC(=O)NC1=O
• InChI: InChI=1S/C14H15F2N3O4/c1-23-9-4-2-7(11(15)12(9)16)6-17-10(20)5-3-8-13(21)19-14(22)18-8/h2,4,8H,3,5-6H2,1H3,(H,17,20)(H2,18,19,21,22)
• InChIKey: PHFKSDVTERZBRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• IUPAC Traditional name: N-[(2,3-difluoro-4-methoxyphenyl)methyl]-3-(2,5-dioxoimidazolidin-4-yl)propanamide
• Synonyms: N-(2,3-difluoro-4-methoxybenzyl)-3-(2,5-dioxo-4-imidazolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.356849
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.03427252
• LogD (pH = 7.4): 0.02961663
• Log P: 0.034332246
• Molar Refractivity: 74.5579 cm^3
• Polarizability: 28.294296 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.69
• LOG S: -2.31
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 6