Basic information
- CAS
128740-10-3- Standard SMILES
O=C1CC(NCCCl)C(=O)N1Cc1ccccc1- InChIKey
ABTPOTUWHMQVEX-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Names & identifiers
- Preferred name
- 1-Benzyl-3-(2-chloroethylamino)pyrrolidine-2,5-dione
- IUPAC
- 1-benzyl-3-(2-chloroethylamino)pyrrolidine-2,5-dione
Names & synonyms
128740-10-31-Benzyl-3-(2-chloroethylamino)pyrrolidine-2,5-dione1-Benzyl-3-((2-chloroethyl)amino)pyrrolidine-2,5-dioneMFCD283595021-Benzyl-3-[(2-chloroethyl)amino]pyrrolidine-2,5-dioneSCHEMBL6214766ABTPOTUWHMQVEX-UHFFFAOYSA-NDTXSID0011789332,5-Pyrrolidinedione, 3-[(2-chloroethyl)amino]-1-(phenylmethyl)-1-Benzyl-3-(2-chloroethylamino)-pyrrolidine-2,5-dione3-[(2-Chloroethyl)amino]-1-(phenylmethyl)-2,5-pyrrolidinedione
Database identifiers
- CAS
128740-10-3- PubChem CID
- 15070002
- DTXSID
DTXSID001178933
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
7 records
Compound notes
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