ethyl 2-[3-(2-fluorophenyl)-N-methyl-3-phenylpropanamido]acetate

• ChemBase ID: 407797
• Molecular Formular: C20H22FNO3
• Molecular Mass: 343.3919832
• Monoisotopic Mass: 343.15837179
• SMILES: C(=O)(CC(c1c(F)cccc1)c1ccccc1)N(CC(=O)OCC)C
• Canonical SMILES: CCOC(=O)CN(C(=O)CC(c1ccccc1F)c1ccccc1)C
• InChI: InChI=1S/C20H22FNO3/c1-3-25-20(24)14-22(2)19(23)13-17(15-9-5-4-6-10-15)16-11-7-8-12-18(16)21/h4-12,17H,3,13-14H2,1-2H3
• InChIKey: NWDCXCPTAVOQTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[3-(2-fluorophenyl)-N-methyl-3-phenylpropanamido]acetate
• IUPAC Traditional name: ethyl 2-[3-(2-fluorophenyl)-N-methyl-3-phenylpropanamido]acetate
• Synonyms: ethyl N-[3-(2-fluorophenyl)-3-phenylpropanoyl]-N-methylglycinate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2401826
• LogD (pH = 7.4): 3.2401826
• Log P: 3.2401826
• Molar Refractivity: 94.0445 cm^3
• Polarizability: 36.28438 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.85
• LOG S: -4.9
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 6