3-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide
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Basic information
- CAS
362476-17-3- Standard SMILES
Cc1cc(NC(=O)c2cccc(I)c2)ccc1-c1cc2ccccc2oc1=O- InChIKey
NLLQYIPVSIQGSK-UHFFFAOYSA-N- Molecular formula
- C23H16INO3
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 481.01749
Names & identifiers
- Preferred name
- 3-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide
- IUPAC
- 3-iodo-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]benzamide
- English name
- 3-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamide
- Molecular formula
- C23H16INO3
- Molecular weight
- 481.28
Names & synonyms
3-iodo-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]benzamideOprea1_4225133-iodo-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]benzamideSTK957190AKOS003792422AK-968/118120503-iodo-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]benzamideBenzamide, 3-iodo-N-[3-methyl-4-(2-oxo-2H-1-benzopyran-3-yl)phenyl]-
Database identifiers
- CAS
362476-17-3- PubChem CID
- 4570797
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Boiling point
- 554.3 · 554.3±50.0 °C(Predicted)
- Density
- 1.623 · 1.623±0.06 g/cm3(Predicted)
- pka
- 12.62 · 12.62±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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