N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-4-methyl-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 704592
• Molecular Formular: C27H28FNO3
• Molecular Mass: 433.5145232
• Monoisotopic Mass: 433.20532198
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1ccc(OCc2cc(F)ccc2)cc1)CC1OCCC1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(Cc1ccc(cc1)OCc1cccc(c1)F)CC1CCCO1
• InChI: InChI=1S/C27H28FNO3/c1-20-7-11-23(12-8-20)27(30)29(18-26-6-3-15-31-26)17-21-9-13-25(14-10-21)32-19-22-4-2-5-24(28)16-22/h2,4-5,7-14,16,26H,3,6,15,17-19H2,1H3
• InChIKey: QDOSGGNGHPTCCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-4-methyl-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-4-methyl-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{4-[(3-fluorobenzyl)oxy]benzyl}-4-methyl-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.6372256
• LogD (pH = 7.4): 5.6372256
• Log P: 5.6372256
• Molar Refractivity: 124.1305 cm^3
• Polarizability: 47.283512 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.85
• LOG S: -6.7
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8