4-butoxy-N-(2,4-difluorophenyl)benzamide

Base Information

• Chemical Name: 4-butoxy-N-(2,4-difluorophenyl)benzamide
• CAS No.: 433967-28-3
• Molecular Formula: C17H17F2NO2
• Molecular Weight: 305.31900
• European Community (EC) Number: 695-612-3
• DSSTox Substance ID: DTXSID10367833
• Wikidata: Q27089180
• Pharos Ligand ID: 1YNRJMBRRT1J
• ChEMBL ID: CHEMBL2151790
• Mol file: 433967-28-3.mol

Synonyms:4-butoxy-N-(2,4-difluorophenyl)benzamide;VU0357121

Chemical Property of 4-butoxy-N-(2,4-difluorophenyl)benzamide

Chemical Property:

• Boiling Point: 338.7±42.0 °C(Predicted)
• PKA: 11.74±0.70(Predicted)
• PSA: 38.33000
• Density: 1.220
• LogP: 4.46900
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥18mg/mL
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 305.12273511
• Heavy Atom Count: 22
• Complexity: 346

Purity/Quality:

98% min ^*data from raw suppliers

VU 0357121 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
• Uses: mGlu5 is an allosteric modulators that bind to a yet uncharacterized allosteric site on mGlu5, distinct from CPPHA, yet share a functional interaction with the MPEP site.