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

• ChemBase ID: 170079
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: c1c(cc2c(c1)c1c(C2)cc(cc1)NC(=O)C)O
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)O
• InChI: InChI=1S/C15H13NO2/c1-9(17)16-12-2-4-14-10(7-12)6-11-8-13(18)3-5-15(11)14/h2-5,7-8,18H,6H2,1H3,(H,16,17)
• InChIKey: RAYOKTUAMJNEFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-hydroxy-9H-fluoren-2-yl)acetamide
• IUPAC Traditional name: 7-hydroxy-2-acetamidofluorene
• Synonyms: 7-OH-AAF; 7-Hydroxy-2-acetylaminofluorene

Database IDs

• CAS Number: 363-49-5
• PubChem SID: 164225989
• PubChem CID: 9695

CALCULATED PROPERTIES

• Molar Refractivity: 71.7173 cm^3
• Polarizability: 27.808447 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 9.9325285
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6731484
• LogD (pH = 7.4): 2.6718996
• Log P: 2.6731644

PROPERTIES

Physical Property

• Solubility: Ethanol; Methanol
• Apperance: Light Grey Solid
• Melting Point: 230-232°C

REFERENCES

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• Mackenzie, P.I., et al.: Cancer Res., 53(2)
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• Jin, C.J., et al.: Carcinogenesis, 14(2)
• 2637 (2)
• Juchau, M.R., et al.: Toxicol. Appl. Pharmacol., 80(2)
• 137 (1993)