Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCCC(Nc2cc(I)cc(Cl)n2)C1- InChIKey
GGTNMKDVVYMXSS-UHFFFAOYSA-N- Molecular formula
- C16H23ClIN3O2
- Average molar mass
- 451.73 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-(6-chloro-4-iodopyridin-2-ylamino)cyclohexylcarbamate
- IUPAC
- tert-butyl N-[3-[(6-chloro-4-iodo-2-pyridinyl)amino]cyclohexyl]carbamate
Names & synonyms
SCHEMBL993359GGTNMKDVVYMXSS-UHFFFAOYSA-Ntert-butyl 3-(6-chloro-4-iodopyridin-2-ylamino)cyclohexylcarbamate
Database identifiers
- PubChem CID
- 87185034
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 405
Related reactions
1 records
Compound notes
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