Basic information
- Standard SMILES
CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2c(F)ccc(F)c2C1- InChIKey
BZOHUOREYAGTLB-UHFFFAOYSA-N- Molecular formula
- C20H18F2INO3
- Average molar mass
- 485.3 g/mol
Names & identifiers
- Preferred name
- 4,7-Difluoro-2-(2-iodo-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 4,7-difluoro-2-[(2-iodo-3-methylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
Names & synonyms
SCHEMBL3309946BZOHUOREYAGTLB-UHFFFAOYSA-N4,7-Difluoro-2-(2-iodo-3-methyl-benzoylamino)-indan-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 59314217
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Related reactions
3 records
Compound notes
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