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Basic information
- Standard SMILES
CC(O)CO/N=C/c1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F- InChIKey
UHLLOWAXRSGZEV-KTZMUZOWSA-N- Molecular formula
- C19H19F3IN3O5
- Average molar mass
- 553.3 g/mol
- Monoisotopic mass
- 553.03215
Names & identifiers
- Preferred name
- 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-2-hydroxypropoxyiminomethyl]benzamide
- IUPAC
- 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(E)-2-hydroxypropoxyiminomethyl]benzamide
Names & synonyms
SCHEMBL5417188
Database identifiers
- PubChem CID
- 11261390
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Related reactions
1 records
Compound notes
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