Basic information
- CAS
40755-31-5- Standard SMILES
CCCC(CCC)CNC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
ZEKKSVKLVVNGAF-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- Benzamide, 4-nitro-N-(2-propylpentyl)-
- IUPAC
- 4-nitro-N-(2-propylpentyl)benzamide
Names & synonyms
4-Nitro-N-(2-propylpentyl)benzamideBRN 2290647Benzamide, 4-nitro-N-(2-propylpentyl)-40755-31-5DTXSID40193743RefChem:321768DTXCID80116234
Database identifiers
- CAS
40755-31-5- PubChem CID
- 218534
- DTXSID
DTXSID40193743
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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