Basic information
- Standard SMILES
COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC- InChIKey
ITAPFQSLBOAJPU-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O5
- Average molar mass
- 336.72 g/mol
Names & identifiers
- Preferred name
- N-(2-chloro-5-nitrophenyl)-3,4-dimethoxybenzamide
- IUPAC
- N-(2-chloro-5-nitrophenyl)-3,4-dimethoxybenzamide
Names & synonyms
Oprea1_215751N-(2-chloro-5-nitrophenyl)-3,4-dimethoxybenzamideSCHEMBL6681149ITAPFQSLBOAJPU-UHFFFAOYSA-NAKOS003864082
Database identifiers
- PubChem CID
- 3551001
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Related reactions
2 records
Compound notes
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