N,N-dicyclohexyl-2-fluorobenzamide

• ChemBase ID: 300523
• Molecular Formular: C19H26FNO
• Molecular Mass: 303.4142432
• Monoisotopic Mass: 303.19984268
• SMILES: c1ccc(c(c1)C(=O)N(C1CCCCC1)C1CCCCC1)F
• Canonical SMILES: Fc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C19H26FNO/c20-18-14-8-7-13-17(18)19(22)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
• InChIKey: ZHVPNXNRPGNFGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dicyclohexyl-2-fluorobenzamide
• IUPAC Traditional name: N,N-dicyclohexyl-2-fluorobenzamide
• Synonyms: N,N-Dicyclohexyl-2-fluorobenzamide

Database IDs

• CAS Number: 574715-85-8
• MDL Number: MFCD00409153

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.012481
• LogD (pH = 7.4): 5.012481
• Log P: 5.012481
• Molar Refractivity: 87.1746 cm^3
• Polarizability: 33.4512 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%