Basic information
- CAS
228114-29-2- Standard SMILES
CC(CCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
PDSUBFYCAJZIFX-UHFFFAOYSA-N- Molecular formula
- C17H17N3O5
- Average molar mass
- 343.33 g/mol
- Monoisotopic mass
- 343.11682065
Names & identifiers
- Preferred name
- N-(1-Methyl-3-phenyl-propyl)-3,5-dinitro-benzamide
- IUPAC
- 3,5-dinitro-N-(4-phenylbutan-2-yl)benzamide
Names & synonyms
AKOS003797178N-(1-METHYL-3-PHENYL-PROPYL)-3,5-DINITRO-BENZAMIDE
Database identifiers
- CAS
228114-29-2- PubChem CID
- 4518967
- EC Number
- 163-739-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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