Basic information
- CAS
5367-38-4- Standard SMILES
CC(=O)Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1- InChIKey
UTPLZMZXGBGQGZ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O3
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.11134135
Names & identifiers
- Preferred name
- N-(3-Nitro-4-(pyrrolidin-1-yl)phenyl)acetamide
- IUPAC
- N-(3-nitro-4-pyrrolidin-1-ylphenyl)acetamide
Names & synonyms
5367-38-4N-(3-Nitro-4-(pyrrolidin-1-yl)phenyl)acetamideN-[3-Nitro-4-(pyrrolidin-1-yl)phenyl]acetamideacetamide,n-[3-nitro-4-(1-pyrrolidinyl)phenyl]-DTXSID00393404STL560108AKOS030565142
Database identifiers
- CAS
5367-38-4- PubChem CID
- 3533968
- DTXSID
DTXSID00393404
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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