N-{2-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-methylphenyl}benzamide

• ChemBase ID: 421951
• Molecular Formular: C19H18N4O4
• Molecular Mass: 366.37062
• Monoisotopic Mass: 366.13280508
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1c(NC(=O)c2ccccc2)ccc(c1)C
• Canonical SMILES: O=C(Nc1cc(C)ccc1NC(=O)c1ccccc1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C19H18N4O4/c1-12-7-8-14(22-18(26)13-5-3-2-4-6-13)15(9-12)21-16(24)11-23-17(25)10-20-19(23)27/h2-9H,10-11H2,1H3,(H,20,27)(H,21,24)(H,22,26)
• InChIKey: XOSKXNIJDLGFNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-methylphenyl}benzamide
• IUPAC Traditional name: N-{2-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-methylphenyl}benzamide
• Synonyms: N-(2-{[(2,5-dioxoimidazolidin-1-yl)acetyl]amino}-4-methylphenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.546638
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2910466
• LogD (pH = 7.4): 1.2910165
• Log P: 1.291047
• Molar Refractivity: 100.8794 cm^3
• Polarizability: 36.844654 Å^3
• Polar Surface Area: 107.61 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: -0.33
• LOG S: -2.9
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 5