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

• ChemBase ID: 252353
• Molecular Formular: C15H12ClNO
• Molecular Mass: 257.71488
• Monoisotopic Mass: 257.06074169
• SMILES: C1(c2c(c3c1cccc3)cccc2)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H12ClNO/c16-9-14(18)17-15-12-7-3-1-5-10(12)11-6-2-4-8-13(11)15/h1-8,15H,9H2,(H,17,18)
• InChIKey: MSLPLDMMXIGXNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09802021
• PubChem SID: 164308263
• PubChem CID: 25323347

CALCULATED PROPERTIES

• Acid pKa: 10.951263
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.913423
• LogD (pH = 7.4): 2.9133162
• Log P: 2.9134245
• Molar Refractivity: 72.0894 cm^3
• Polarizability: 29.09766 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.897

Product Information

• Purity: 95%