1-(2-Chlorophenyl)-3-(5-oxopyrrolidin-3-yl)urea
Basic information
- CAS
88016-06-2- Standard SMILES
O=C1CC(NC(=O)Nc2ccccc2Cl)CN1- InChIKey
BMCZLZCIAKBGQT-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.0618043
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-3-(5-oxopyrrolidin-3-yl)urea
- IUPAC
- 1-(2-chlorophenyl)-3-(5-oxopyrrolidin-3-yl)urea
Names & synonyms
88016-06-21-(2-chlorophenyl)-3-(5-oxopyrrolidin-3-yl)ureaDTXSID90526305AKOS024538928N-(2-Chlorophenyl)-N'-(5-oxopyrrolidin-3-yl)ureaF6210-0311
Database identifiers
- CAS
88016-06-2- PubChem CID
- 13195051
- DTXSID
DTXSID90526305
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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