1-(4-Acetylphenyl)-3-(2-chloroethyl)urea
Basic information
- CAS
13908-48-0- Standard SMILES
CC(=O)c1ccc(NC(=O)NCCCl)cc1- InChIKey
XKYQSDGJEOAYOC-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O2
- Average molar mass
- 240.68 g/mol
- Monoisotopic mass
- 240.0665554
Names & identifiers
- Preferred name
- 1-(4-Acetylphenyl)-3-(2-chloroethyl)urea
- IUPAC
- 1-(4-acetylphenyl)-3-(2-chloroethyl)urea
Names & synonyms
13908-48-01-(4-acetylphenyl)-3-(2-chloroethyl)ureaNSC89208DTXSID20293396NSC-89208AKOS008937246N-(4-Acetylphenyl)-N'-(2-chloroethyl)ureaUrea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-
Database identifiers
- CAS
13908-48-0- PubChem CID
- 259338
- DTXSID
DTXSID20293396
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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