Basic information
- Standard SMILES
CC1(C)OC[C@H](CONC(=O)c2cc(Br)ncc2Nc2ccc(I)cc2F)O1- InChIKey
AARBRCCXMGJJGG-LLVKDONJSA-N- Molecular formula
- C18H18BrFIN3O4
- Average molar mass
- 566.2 g/mol
Names & identifiers
- Preferred name
- 2-bromo-N-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-5-[(2-fluoro-4-iodophenyl)-amino]isonicotinamide
- IUPAC
- 2-bromo-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
Names & synonyms
SCHEMBL2020051AARBRCCXMGJJGG-LLVKDONJSA-N2-bromo-N-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-5-[(2-fluoro-4-iodophenyl)-amino] isonicotinamide2-bromo-N-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-5-[(2-fluoro-4-iodophenyl)-amino]isonicotinamide2-bromo-N-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-5-[(2-fluoro-4-iodophenyl)amino]-isonicotinamide
Database identifiers
- PubChem CID
- 86629192
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 547
Related reactions
8 records
Compound notes
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