Benzyl 3-[4-(2-hydroxyethyl)-2-iodoanilino]but-2-enoate
Basic information
- Standard SMILES
CC(=CC(=O)OCc1ccccc1)Nc1ccc(CCO)cc1I- InChIKey
UBXQXFMVYKDQQR-UHFFFAOYSA-N- Molecular formula
- C19H20INO3
- Average molar mass
- 437.3 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-[4-(2-hydroxyethyl)-2-iodoanilino]but-2-enoate
- IUPAC
- benzyl 3-[4-(2-hydroxyethyl)-2-iodoanilino]but-2-enoate
Names & synonyms
SCHEMBL6316584
Database identifiers
- PubChem CID
- 69739463
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
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Related reactions
1 records
Compound notes
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