N-acetyl-N-(9H-fluoren-2-yl)acetamide

• ChemBase ID: 109122
• Molecular Formular: C17H15NO2
• Molecular Mass: 265.3065
• Monoisotopic Mass: 265.11027873
• SMILES: CC(=O)N(C(=O)C)c1ccc2c(Cc3ccccc23)c1
• Canonical SMILES: CC(=O)N(c1ccc2c(c1)Cc1c2cccc1)C(=O)C
• InChI: InChI=1S/C17H15NO2/c1-11(19)18(12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3
• InChIKey: CUEUMJJOLJYAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-acetyl-N-(9H-fluoren-2-yl)acetamide
• IUPAC Traditional name: N-acetyl-N-(9H-fluoren-2-yl)acetamide
• Synonyms: 2-DIACETYLAMINOFLUORENE

Database IDs

• CAS Number: 642-65-9
• PubChem SID: 162094509
• PubChem CID: 12553

CALCULATED PROPERTIES

• Acid pKa: 16.345915
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6057281
• LogD (pH = 7.4): 2.6057281
• Log P: 2.6057281
• Molar Refractivity: 77.5215 cm^3
• Polarizability: 30.963026 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209928

MP Biomedicals Rare Chemical collection