Basic information
- Standard SMILES
CCOC(=O)C(=O)NCC(=O)c1cccc(Cl)c1- InChIKey
XFGRUDZDJBSWGB-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO4
- Average molar mass
- 269.68 g/mol
- Monoisotopic mass
- 269.0454856
Names & identifiers
- Preferred name
- Ethyl [[2-(3-Chlorophenyl)-2-oxoethyl]amino](oxo)acetate
- IUPAC
- ethyl 2-[[2-(3-chlorophenyl)-2-oxoethyl]amino]-2-oxoacetate
Names & synonyms
SCHEMBL25215879SCHEMBL30473964XFGRUDZDJBSWGB-UHFFFAOYSA-NEthyl [[2-(3-Chlorophenyl)-2-oxoethyl]amino](oxo)acetate
Database identifiers
- PubChem CID
- 85809577
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
3 records
Compound notes
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