Basic information
- CAS
13558-76-4- Standard SMILES
Cc1ccccc1NC(=O)NC(=O)CCl- InChIKey
CNLWHMQFWOTMAP-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O2
- Average molar mass
- 226.66 g/mol
- Monoisotopic mass
- 226.0509053
Names & identifiers
- Preferred name
- 2-Chloro-N-[(2-methylphenyl)carbamoyl]acetamide
- IUPAC
- 2-chloro-N-[(2-methylphenyl)carbamoyl]acetamide
- English name
- 1-(2-chloroacetyl)-3-o-tolylurea
- Molecular formula
- C10H11ClN2O2
- Molecular weight
- 226.66
Names & synonyms
13558-76-42-Chloro-N-[(2-methylphenyl)carbamoyl]acetamide1-(2-chloroacetyl)-3-o-tolylureaCHEMBL227679DTXSID00500893Acetamide, 2-chloro-N-[[(2-methylphenyl)amino]carbonyl]-
Database identifiers
- CAS
13558-76-4- PubChem CID
- 12511684
- DTXSID
DTXSID00500893- ChEMBL
CHEMBL227679
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 135 · 135-137 °C
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 10.04 · 10.04±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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