1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Basic information
- CAS
72676-70-1- Standard SMILES
CN1C(=O)CC(c2ccc(NC(=O)N(CCCl)N=O)cc2)C1=O- InChIKey
DFTHABQFPUAXOF-UHFFFAOYSA-N- Molecular formula
- C14H15ClN4O4
- Average molar mass
- 338.74 g/mol
- Monoisotopic mass
- 338.0781827
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosourea
Names & synonyms
72676-70-1NSC3120321-(2-chloroethyl)-3-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-1-nitrosoureaCHEMBL111645DTXSID80317168NSC-312032DS-012539Urea,5-dioxo-3-pyyrrolidinyl)phenyl]-N-nitroso-N-(2-chloroethyl)-N'-[4-(1-methyl-2,5-dioxopyrrolidin-3-yl)phenyl]-N-nitrosoureaUrea,n-(2-chloroethyl)-n-[4-(1-methyl-2,5-dioxo-3-pyrrolidinyl)phenyl]-n-nitroso-
Database identifiers
- CAS
72676-70-1- PubChem CID
- 329430
- DTXSID
DTXSID80317168- ChEMBL
CHEMBL111645
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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