3-Iodo-N-(2,2,2-trichloro-1-(4-methoxy-2-nitroanilino)ethyl)benzamide
Basic information
- CAS
314750-81-7- Standard SMILES
COc1ccc(NC(NC(=O)c2cccc(I)c2)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1- InChIKey
RONYPYJXKXSVEU-UHFFFAOYSA-N- Molecular formula
- C16H13Cl3IN3O4
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 542.90164
Names & identifiers
- Preferred name
- 3-Iodo-N-(2,2,2-trichloro-1-(4-methoxy-2-nitroanilino)ethyl)benzamide
- IUPAC
- 3-iodo-N-[2,2,2-trichloro-1-(4-methoxy-2-nitroanilino)ethyl]benzamide
- English name
- 3-Iodo-N-(2,2,2-trichloro-1-(4-methoxy-2-nitroanilino)ethyl)benzamide
- Molecular formula
- C16H13Cl3IN3O4
- Molecular weight
- 544.56
Names & synonyms
AKOS0026868203-IODO-N-(2,2,2-TRICHLORO-1-(4-METHOXY-2-NITROANILINO)ETHYL)BENZAMIDEBenzamide, 3-iodo-N-[2,2,2-trichloro-1-[(4-methoxy-2-nitrophenyl)amino]ethyl]-
Database identifiers
- CAS
314750-81-7- PubChem CID
- 4583103
- EC Number
- 126-687-8
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 651.917 · 651.917±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.799 · 1.799±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.537 · 11.537±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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