N-(7-acetamido-9H-fluoren-2-yl)acetamide

• ChemBase ID: 108390
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)NC(=O)C
• InChI: InChI=1S/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)
• InChIKey: XBZBRCVCSVLJJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-acetamido-9H-fluoren-2-yl)acetamide
• IUPAC Traditional name: N-(7-acetamido-9H-fluoren-2-yl)acetamide
• Synonyms: 2,7-DIACETAMINOFLUORENE

Database IDs

• CAS Number: 304-28-9
• PubChem SID: 162094303
• PubChem CID: 9352

CALCULATED PROPERTIES

• Acid pKa: 14.009841
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.21444
• LogD (pH = 7.4): 2.21444
• Log P: 2.21444
• Molar Refractivity: 84.5994 cm^3
• Polarizability: 32.07369 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207186

MP Biomedicals Rare Chemical collection