N-cyclopentyl-4-fluoro-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}benzamide

• ChemBase ID: 629458
• Molecular Formular: C23H28FNO3
• Molecular Mass: 385.4717232
• Monoisotopic Mass: 385.20532198
• SMILES: C(=O)(N(Cc1cc(OC(C)C)c(cc1)OC)C1CCCC1)c1ccc(cc1)F
• Canonical SMILES: COc1ccc(cc1OC(C)C)CN(C(=O)c1ccc(cc1)F)C1CCCC1
• InChI: InChI=1S/C23H28FNO3/c1-16(2)28-22-14-17(8-13-21(22)27-3)15-25(20-6-4-5-7-20)23(26)18-9-11-19(24)12-10-18/h8-14,16,20H,4-7,15H2,1-3H3
• InChIKey: ZNFZJHPFDUEHIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-4-fluoro-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}benzamide
• IUPAC Traditional name: N-cyclopentyl-4-fluoro-N-[(3-isopropoxy-4-methoxyphenyl)methyl]benzamide
• Synonyms: N-cyclopentyl-4-fluoro-N-(3-isopropoxy-4-methoxybenzyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9511557
• LogD (pH = 7.4): 4.9511557
• Log P: 4.9511557
• Molar Refractivity: 108.2658 cm^3
• Polarizability: 41.44537 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.98
• LOG S: -5.04
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5