Basic information
- CAS
17183-42-5- Standard SMILES
CC1CCCN(Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2O)C1- InChIKey
IOPRUCNTTVVHEV-UHFFFAOYSA-N- Molecular formula
- C20H23N3O4
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.16885622
Names & identifiers
- Preferred name
- Benzanilide, 4'-hydroxy-3'-((3-methylpiperidino)methyl)-4-nitro-
- IUPAC
- N-[4-hydroxy-3-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-nitrobenzamide
- English name
- N-[4-Hydroxy-3-[(3-methylpiperidino)methyl]phenyl]-4-nitrobenzamide
- Molecular formula
- C20H23N3O4
- Molecular weight
- 369.41
Names & synonyms
LG 25417183-42-5BRN 16066174'-Hydroxy-3'-((3-methylpiperidino)methyl)-4-nitrobenzanilideBenzanilide, 4'-hydroxy-3'-((3-methylpiperidino)methyl)-4-nitro-5-20-04-00111 (Beilstein Handbook Reference)RefChem:322719N-[4-hydroxy-3-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-nitrobenzamideN-[4-Hydroxy-3-[(3-methylpiperidino)methyl]phenyl]-4-nitrobenzamideDTXSID20938053N-{4-Hydroxy-3-[(3-methylpiperidin-1-yl)methyl]phenyl}-4-nitrobenzene-1-carboximidic acidLG-254
Show more names
4'-Hydroxy-3'-[(3-methylpiperidino)methyl]-4-nitrobenzanilideBenzamide, N-[4-hydroxy-3-[(3-methyl-1-piperidinyl)methyl]phenyl]-4-nitro-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 484.1 · 484.1±45.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- pka
- 9.92 · 9.92±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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