Basic information
- Standard SMILES
CCC(C)(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)CCl- InChIKey
YPLNSDMIYVLUOU-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O4
- Average molar mass
- 298.72 g/mol
Names & identifiers
- Preferred name
- 3-Nitro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)benzamide
- IUPAC
- N-(1-chloro-3-methyl-2-oxopentan-3-yl)-3-nitrobenzamide
Names & synonyms
SCHEMBL7686305YPLNSDMIYVLUOU-UHFFFAOYSA-N3-Nitro-N-(3-chloro-1-ethyl-1-methyl-2-oxopropyl)benzamide
Database identifiers
- PubChem CID
- 18372011
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Related reactions
4 records
Compound notes
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