Basic information
- Standard SMILES
CC(C#N)(Cn1cc2c(Cl)cc(Cl)c(Cl)c2n1)NC(=O)c1ccc(I)cc1- InChIKey
SEWOUUIETOKKGI-UHFFFAOYSA-N- Molecular formula
- C18H12Cl3IN4O
- Average molar mass
- 533.6 g/mol
- Monoisotopic mass
- 531.91214
Names & identifiers
- Preferred name
- N-[1-Cyano-1-methyl-2-(4,6,7-trichloro-2H-indazol-2-yl)ethyl]-4-iodobenzamide
- IUPAC
- N-[2-cyano-1-(4,6,7-trichloroindazol-2-yl)propan-2-yl]-4-iodobenzamide
Names & synonyms
SCHEMBL3600989SEWOUUIETOKKGI-UHFFFAOYSA-NN-[1-Cyano-1-methyl-2-(4,6,7-trichloro-2H-indazol-2-yl)ethyl]-4-iodobenzamide
Database identifiers
- PubChem CID
- 68708796
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
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