Basic information
- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
IQAVVSLWOGUIMP-UHFFFAOYSA-N- Molecular formula
- C24H23N3O4
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.16885622
Names & identifiers
- Preferred name
- n1-(4-Nitrobenzoyl)-n2-(4-tert-butylbenzoyl)-1,2-benzenediamine
- IUPAC
- 4-tert-butyl-N-[2-[(4-nitrobenzoyl)amino]phenyl]benzamide
Names & synonyms
IQAVVSLWOGUIMP-UHFFFAOYSA-NAKOS006869019n1-(4-nitrobenzoyl)-n2-(4-tert-butylbenzoyl)-1,2-benzenediamine
Database identifiers
- PubChem CID
- 37699550
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 638
Related reactions
2 records
Compound notes
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