N-{2-[(4-fluorophenyl)formamido]ethyl}-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 572654
• Molecular Formular: C18H26FN3O3
• Molecular Mass: 351.4157432
• Monoisotopic Mass: 351.19581993
• SMILES: N1(CC(CC(=O)NCCNC(=O)c2ccc(cc2)F)OCC1)C(C)C
• Canonical SMILES: CC(N1CCOC(C1)CC(=O)NCCNC(=O)c1ccc(cc1)F)C
• InChI: InChI=1S/C18H26FN3O3/c1-13(2)22-9-10-25-16(12-22)11-17(23)20-7-8-21-18(24)14-3-5-15(19)6-4-14/h3-6,13,16H,7-12H2,1-2H3,(H,20,23)(H,21,24)
• InChIKey: VHSFDLAJUIVFTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-fluorophenyl)formamido]ethyl}-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-{2-[(4-fluorophenyl)formamido]ethyl}-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: 4-fluoro-N-(2-{[(4-isopropylmorpholin-2-yl)acetyl]amino}ethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.528021
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1179118
• LogD (pH = 7.4): 0.5515689
• Log P: 0.95528775
• Molar Refractivity: 93.6836 cm^3
• Polarizability: 35.824787 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.15
• LOG S: -2.74
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 7