1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate
Basic information
- CAS
6898-58-4- Standard SMILES
Cc1cccc(NC(=O)C(C)OC(=O)c2cccc(Cl)c2)c1C- InChIKey
GTYAGFGIMCTFEW-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- 1-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate
- IUPAC
- [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 3-chlorobenzoate
Names & synonyms
6898-58-4DTXSID604114961-(2,3-Dimethylanilino)-1-oxopropan-2-yl 3-chlorobenzoate
Database identifiers
- CAS
6898-58-4- PubChem CID
- 5226905
- DTXSID
DTXSID60411496
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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