Basic information
- Standard SMILES
O=C(NCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccccc2)cc1- InChIKey
XHLXYKAMKREIJK-UHFFFAOYSA-N- Molecular formula
- C21H20N4O3
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- N-[2-(4-nitrophenyl)-ethyl]-N'-[4-(phenylamino)phenyl]-urea
- IUPAC
- 1-(4-anilinophenyl)-3-[2-(4-nitrophenyl)ethyl]urea
Names & synonyms
SCHEMBL4659127XHLXYKAMKREIJK-UHFFFAOYSA-NN-[2-(4-nitrophenyl)-ethyl]-N'-[4-(phenylamino)phenyl]-urea
Database identifiers
- PubChem CID
- 22646376
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 488
Related reactions
2 records
Compound notes
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