Basic information
- Standard SMILES
O=C(NCCCCl)c1ccncc1Nc1ccc(I)cc1F- InChIKey
WLIABPXJZDAFQZ-UHFFFAOYSA-N- Molecular formula
- C15H14ClFIN3O
- Average molar mass
- 433.64 g/mol
Names & identifiers
- Preferred name
- N-(3-chloropropyl)-3-[(2-fluoro-4-iodophenyl)amino]isonicotinamide
- IUPAC
- N-(3-chloropropyl)-3-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
Names & synonyms
SCHEMBL2020571WLIABPXJZDAFQZ-UHFFFAOYSA-NN-(3-chloropropyl)-3-[(2-fluoro-4-iodophenyl)amino]isonicotinamide
Database identifiers
- PubChem CID
- 11633443
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
5 records
Compound notes
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