4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholine-2-carboxamide

• ChemBase ID: 749704
• Molecular Formular: C14H17FN2O2
• Molecular Mass: 264.2953832
• Monoisotopic Mass: 264.12740601
• SMILES: C1(C(=O)N)CN(C/C=C/c2ccc(F)cc2)CCO1
• Canonical SMILES: NC(=O)C1OCCN(C1)C/C=C/c1ccc(cc1)F
• InChI: InChI=1S/C14H17FN2O2/c15-12-5-3-11(4-6-12)2-1-7-17-8-9-19-13(10-17)14(16)18/h1-6,13H,7-10H2,(H2,16,18)/b2-1+
• InChIKey: UWXNVFUYVZXQMZ-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholine-2-carboxamide
• IUPAC Traditional name: 4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholine-2-carboxamide
• Synonyms: 4-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]morpholine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.57445
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36330768
• LogD (pH = 7.4): 1.2884918
• Log P: 1.3317567
• Molar Refractivity: 71.8623 cm^3
• Polarizability: 27.262865 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.7
• LOG S: -1.73
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4