2-fluoro-5-[2-(morpholin-4-ylmethyl)phenyl]benzamide

• ChemBase ID: 739364
• Molecular Formular: C18H19FN2O2
• Molecular Mass: 314.3540632
• Monoisotopic Mass: 314.14305608
• SMILES: c1(cc(c2c(CN3CCOCC3)cccc2)ccc1F)C(=O)N
• Canonical SMILES: NC(=O)c1cc(ccc1F)c1ccccc1CN1CCOCC1
• InChI: InChI=1S/C18H19FN2O2/c19-17-6-5-13(11-16(17)18(20)22)15-4-2-1-3-14(15)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2,(H2,20,22)
• InChIKey: HORXMBMQGVLXMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-[2-(morpholin-4-ylmethyl)phenyl]benzamide
• IUPAC Traditional name: 2-fluoro-5-[2-(morpholin-4-ylmethyl)phenyl]benzamide
• Synonyms: 4-fluoro-2'-(morpholin-4-ylmethyl)biphenyl-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.827128
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6038485
• LogD (pH = 7.4): 2.1116138
• Log P: 2.3367097
• Molar Refractivity: 88.1062 cm^3
• Polarizability: 34.444706 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: 1.24
• LOG S: -2.55
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4