N-(4-iodo-2-methylphenyl)-3,4,5-trimethoxybenzamide
Basic information
- CAS
301674-86-2- Standard SMILES
COc1cc(C(=O)Nc2ccc(I)cc2C)cc(OC)c1OC- InChIKey
KZFYYRGOIUAVOJ-UHFFFAOYSA-N- Molecular formula
- C17H18INO4
- Average molar mass
- 427.23 g/mol
- Monoisotopic mass
- 427.02806
Names & identifiers
- Preferred name
- N-(4-iodo-2-methylphenyl)-3,4,5-trimethoxybenzamide
- IUPAC
- N-(4-iodo-2-methylphenyl)-3,4,5-trimethoxybenzamide
- English name
- N-(4-Iodo-2-methylphenyl)-3,4,5-trimethoxybenzamide
- Molecular formula
- C17H18INO4
- Molecular weight
- 427.23
Names & synonyms
N-(4-iodo-2-methylphenyl)-3,4,5-trimethoxybenzamideOprea1_393520AKOS001032126EU-0035812ST50184674SR-01000408719SR-01000408719-1Z30179359N-(4-iodo-2-methylphenyl)(3,4,5-trimethoxyphenyl)carboxamideBenzamide, N-(4-iodo-2-methylphenyl)-3,4,5-trimethoxy-
Database identifiers
- CAS
301674-86-2- PubChem CID
- 978608
- EC Number
- 144-532-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 438.791 · 438.791±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.108 · 12.108±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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