Basic information
- Standard SMILES
O=C([O-])C1=C(Nc2ccc(Nc3ccccc3)cc2)CCCC1- InChIKey
DHGBQELTYBUGPP-UHFFFAOYSA-M- Molecular formula
- C19H19N2O2-
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 2-{4'-[(Phenyl)amino]phenyl}aminocyclohexenecarboxylate
- IUPAC
- 2-(4-anilinoanilino)cyclohexene-1-carboxylate
Names & synonyms
DHGBQELTYBUGPP-UHFFFAOYSA-M2-{4'-[(phenyl)amino]phenyl}aminocyclohexenecarboxylate
Database identifiers
- PubChem CID
- 20284385
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 427
Related reactions
1 records
Compound notes
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