3-{[(4-fluorophenyl)methyl]amino}-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide

• ChemBase ID: 498444
• Molecular Formular: C22H27FN2O2
• Molecular Mass: 370.4603832
• Monoisotopic Mass: 370.20565633
• SMILES: C(=O)(c1cc(NCc2ccc(F)cc2)ccc1)N(CCCC1OCCC1)C
• Canonical SMILES: Fc1ccc(cc1)CNc1cccc(c1)C(=O)N(CCCC1CCCO1)C
• InChI: InChI=1S/C22H27FN2O2/c1-25(13-3-7-21-8-4-14-27-21)22(26)18-5-2-6-20(15-18)24-16-17-9-11-19(23)12-10-17/h2,5-6,9-12,15,21,24H,3-4,7-8,13-14,16H2,1H3
• InChIKey: GDGFNDWFMQSEMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(4-fluorophenyl)methyl]amino}-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
• IUPAC Traditional name: 3-{[(4-fluorophenyl)methyl]amino}-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
• Synonyms: 3-[(4-fluorobenzyl)amino]-N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6052847
• LogD (pH = 7.4): 3.60708
• Log P: 3.6071029
• Molar Refractivity: 107.7173 cm^3
• Polarizability: 40.080658 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.13
• LOG S: -4.57
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8