N-(2-methoxybenzyl)-4-methyl-3-nitrobenzamide
Basic information
- CAS
329940-53-6- Standard SMILES
COc1ccccc1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1- InChIKey
GNUACNGBBDDYBJ-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- N-(2-methoxybenzyl)-4-methyl-3-nitrobenzamide
- IUPAC
- N-[(2-methoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
- English name
- N-(2-methoxybenzyl)-4-methyl-3-nitrobenzamide
- Molecular formula
- C16H16N2O4
- Molecular weight
- 300.31
Names & synonyms
N-(2-methoxybenzyl)-4-methyl-3-nitrobenzamideN-[(2-methoxyphenyl)methyl]-4-methyl-3-nitrobenzamideOprea1_611932Oprea1_740383STK035681AKOS000379365ST010828SR-01000362949SR-01000362949-1Z26709122N-[(2-methoxyphenyl)methyl](4-methyl-3-nitrophenyl)carboxamideBenzamide, N-[(2-methoxyphenyl)methyl]-4-methyl-3-nitro-
Database identifiers
- CAS
329940-53-6- PubChem CID
- 710856
- EC Number
- 169-556-0
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 473.8 · 473.8±45.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 13.27 · 13.27±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…