Basic information
- CAS
265977-74-0- Standard SMILES
CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(/Cl)c1ccccc1- InChIKey
BXWKSHMWRTWJGG-ZCXUNETKSA-N- Molecular formula
- C20H21ClN2O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.1291556
Names & identifiers
- Preferred name
- N-[(1Z)-2-Chloro-1-[(diethylamino)carbonyl]-2-phenylethenyl]benzamide
- IUPAC
- N-[(Z)-1-chloro-3-(diethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
- English name
- N-(2-Chloro-1-diethylcarbamoyl-2-phenyl-vinyl)-benzamide
- Molecular formula
- C20H21ClN2O2
- Molecular weight
- 356.85
Names & synonyms
265977-74-0N-[(1Z)-2-Chloro-1-[(diethylamino)carbonyl]-2-phenylethenyl]benzamideN-((1Z)-2-Chloro-1-((diethylamino)carbonyl)-2-phenylethenyl)benzamideRefChem:359562DTXSID301156160N-(2-CHLORO-1-DIETHYLCARBAMOYL-2-PHENYL-VINYL)-BENZAMIDEAKOS024428315N-[(1Z)-1-Chloro-3-(diethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamideBenzamide, N-[(1Z)-2-chloro-1-[(diethylamino)carbonyl]-2-phenylethenyl]-
Database identifiers
- CAS
265977-74-0- PubChem CID
- 5794635
- DTXSID
DTXSID301156160
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 553.06 · 553.060±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.285 · 9.285±0.46(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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