N-(2-fluorophenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide

• ChemBase ID: 229048
• Molecular Formular: C16H14FNO4
• Molecular Mass: 303.2850632
• Monoisotopic Mass: 303.09068615
• SMILES: N(C(=O)COc1c(cc(C=O)cc1)OC)c1c(F)cccc1
• Canonical SMILES: COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1F
• InChI: InChI=1S/C16H14FNO4/c1-21-15-8-11(9-19)6-7-14(15)22-10-16(20)18-13-5-3-2-4-12(13)17/h2-9H,10H2,1H3,(H,18,20)
• InChIKey: IEAWKRDEVRQQDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-(2-fluorophenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
• Synonyms: N-(2-Fluoro-phenyl)-2-(4-formyl-2-methoxy-phenoxy)-acetamide

Database IDs

• MDL Number: MFCD03653049
• PubChem SID: 164284958
• PubChem CID: 2375928

CALCULATED PROPERTIES

• Acid pKa: 11.212266
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.425392
• LogD (pH = 7.4): 2.4253292
• Log P: 2.4253929
• Molar Refractivity: 80.1467 cm^3
• Polarizability: 29.613295 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.867

Product Information

• Purity: 95%