2-(4-Chlorophenyl)-2-oxoethyl 4-methyl-3-(propanoylamino)benzoate
Basic information
- CAS
516470-30-7- Standard SMILES
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1C- InChIKey
IPGBEWIIBBBNNL-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO4
- Average molar mass
- 359.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-oxoethyl 4-methyl-3-(propanoylamino)benzoate
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-3-(propanoylamino)benzoate
- English name
- 2-(4-chlorophenyl)-2-oxoethyl 4-methyl-3-(propionylamino)benzoate
- Molecular formula
- C19H18ClNO4
- Molecular weight
- 359.8
Names & synonyms
2-(4-chlorophenyl)-2-oxoethyl 4-methyl-3-(propanoylamino)benzoate2-(4-chlorophenyl)-2-oxoethyl 4-methyl-3-(propionylamino)benzoate[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-3-(propanoylamino)benzoateSTK183745AKOS003650448AK-918/41944773SR-01000259295SR-01000259295-12-(4-chlorophenyl)-2-oxoethyl 4-methyl-3-propionamidobenzoate516470-30-7Benzoic acid, 4-methyl-3-[(1-oxopropyl)amino]-, 2-(4-chlorophenyl)-2-oxoethyl ester
Database identifiers
- CAS
516470-30-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 593 · 593.0±50.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- pka
- 14 · 14+-.0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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