Basic information
- CAS
28046-03-9- Standard SMILES
C=CCOc1cc(Cl)ccc1C(=O)NCCN1CCOCC1- InChIKey
NEHGSNUYCSUDMZ-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O3
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1240702
Names & identifiers
- Preferred name
- Benzamide, 2-(allyloxy)-4-chloro-N-(2-morpholinoethyl)-
- IUPAC
- 4-chloro-N-(2-morpholin-4-ylethyl)-2-prop-2-enoxybenzamide
- English name
- 2-(Allyloxy)-4-chloro-N-(2-morpholinoethyl)benzamide
- Molecular formula
- C16H21ClN2O3
- Molecular weight
- 324.8
Names & synonyms
264CMBENZAMIDE, 2-(ALLYLOXY)-4-CHLORO-N-(2-MORPHOLINOETHYL)-2-(Allyloxy)-4-chloro-N-(2-morpholinoethyl)benzamide28046-03-9DTXSID10182321RefChem:321337DTXCID20104812SCHEMBL299890694-Chloro-N-[2-(morpholin-4-yl)ethyl]-2-[(prop-2-en-1-yl)oxy]benzamide264 CMBenzamide, 4-chloro-N-[2-(4-morpholinyl)ethyl]-2-(2-propen-1-yloxy)-
Database identifiers
- CAS
28046-03-9- PubChem CID
- 34124
- DTXSID
DTXSID10182321- Nikkaji
- J148.977A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 482 · 482.0±45.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
- pka
- 14.01 · 14.01±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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