Basic information
- Standard SMILES
CC(=O)N(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)OCCO- InChIKey
VSUHDMJIVSQRCS-UHFFFAOYSA-N- Molecular formula
- C20H21F3IN3O6
- Average molar mass
- 583.3 g/mol
Names & identifiers
- Preferred name
- 5-{[Acetyl-(2-hydroxy-ethoxy)-amino]-methyl}-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide
- IUPAC
- 5-[[acetyl(2-hydroxyethoxy)amino]methyl]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
Names & synonyms
SCHEMBL1562579VSUHDMJIVSQRCS-UHFFFAOYSA-N5-{[Acetyl-(2-hydroxy-ethoxy)-amino]-methyl}-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-benzamide
Database identifiers
- PubChem CID
- 59348015
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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