Basic information
- CAS
17172-60-0- Standard SMILES
O=Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1- InChIKey
JTBOXNJTXICJKY-UHFFFAOYSA-N- Molecular formula
- C21H17NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.1208434
Names & identifiers
- Preferred name
- N-Biphenyl-2-yl-2-(4-formyl-phenoxy)-acetamide
- IUPAC
- 2-(4-formylphenoxy)-N-(2-phenylphenyl)acetamide
- English name
- N-Biphenyl-2-yl-2-(4-formyl-phenoxy)-acetamide
- Molecular formula
- C21H17NO3
- Molecular weight
- 331.36
Names & synonyms
N-Biphenyl-2-yl-2-(4-formyl-phenoxy)-acetamide17172-60-0N-([1,1'-Biphenyl]-2-yl)-2-(4-formylphenoxy)acetamide2-(4-formylphenoxy)-N-(2-phenylphenyl)acetamideN-{[1,1'-BIPHENYL]-2-YL}-2-(4-FORMYLPHENOXY)ACETAMIDEN-Biphenyl-2-yl-2-(4-formylphenoxy)-acetamideOprea1_805736Oprea1_877615MLS000710323CHEMBL1377021DTXSID501332215HMS2685E05
Show more names
Acetamide, N-[1,1'-biphenyl]-2-yl-2-(4-formylphenoxy)-
AKOS000720317SMR000279090DB-371406ST50309469
Database identifiers
- CAS
17172-60-0- PubChem CID
- 856309
- DTXSID
DTXSID501332215- ChEMBL
CHEMBL1377021
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 565.8 · 565.8±35.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 12.88 · 12.88±0.70(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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