3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-fluorophenoxy)ethyl]propanamide

• ChemBase ID: 682544
• Molecular Formular: C14H16FN3O4
• Molecular Mass: 309.2929432
• Monoisotopic Mass: 309.11248423
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCOc1ccc(F)cc1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCOc1ccc(cc1)F
• InChI: InChI=1S/C14H16FN3O4/c15-9-1-3-10(4-2-9)22-8-7-16-12(19)6-5-11-13(20)18-14(21)17-11/h1-4,11H,5-8H2,(H,16,19)(H2,17,18,20,21)
• InChIKey: RBTARPHVUWDTBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.634556
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.031153468
• LogD (pH = 7.4): -0.033616357
• Log P: -0.031121936
• Molar Refractivity: 73.8179 cm^3
• Polarizability: 28.483946 Å^3
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.36
• LOG S: -2.46
• Polar Surface Area: 96.53 Å^2
• Rotatable Bonds: 7