N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

• ChemBase ID: 126850
• Molecular Formular: C23H22FNO4
• Molecular Mass: 395.4234832
• Monoisotopic Mass: 395.15328641
• SMILES: c1ccccc1Oc1ccc(F)cc1N(C(=O)C)Cc1cc(OC)ccc1OC
• Canonical SMILES: COc1ccc(c(c1)CN(c1cc(F)ccc1Oc1ccccc1)C(=O)C)OC
• InChI: InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
• InChIKey: DCRZYADKQRHHSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
• IUPAC Traditional name: N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
• Synonyms: DAA-1106

Database IDs

• CAS Number: 220551-92-8
• PubChem SID: 162221177
• PubChem CID: 10430788
• Chemspider ID: 8606215
• Wikipedia Title: DAA-1106

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.127142
• LogD (pH = 7.4): 4.127142
• Log P: 4.127142
• Molar Refractivity: 108.0331 cm^3
• Polarizability: 41.66005 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true