N-(9H-fluoren-2-yl)acetamido acetate

• ChemBase ID: 125601
• Molecular Formular: C17H15NO3
• Molecular Mass: 281.3059
• Monoisotopic Mass: 281.10519335
• SMILES: CC(=O)ON(C(=O)C)c1ccc2c(Cc3ccccc23)c1
• Canonical SMILES: CC(=O)ON(c1ccc2c(c1)Cc1c2cccc1)C(=O)C
• InChI: InChI=1S/C17H15NO3/c1-11(19)18(21-12(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: NFOMHWALMFWNAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-2-yl)acetamido acetate
• IUPAC Traditional name: acetoxyacetylaminofluorene
• Synonyms: N-Acetoxy-2-acetamidofluorene; N-Acetoxy-2-acetylaminofluorene; Acetoxy AAF; Acetoxyacetamidofluorene; Acetoxyfluorenylacetamide;; Acetoxyacetylaminofluorene

Database IDs

• CAS Number: 6098-44-8
• PubChem SID: 162219951
• PubChem CID: 22469
• CHEBI ID: 234426
• CHEMBL: 85327
• Chemspider ID: 21074
• MeSH Name: Acetoxyacetylaminofluorene
• Wikipedia Title: Acetoxyacetylaminofluorene

CALCULATED PROPERTIES

• Acid pKa: 16.060389
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.756831
• LogD (pH = 7.4): 2.756831
• Log P: 2.756831
• Molar Refractivity: 78.8717 cm^3
• Polarizability: 31.625963 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.327