Basic information
- CAS
63295-50-1- Standard SMILES
O=C(Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1- InChIKey
VLEMJYHTAUXVMK-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- N-(naphthalen-1-yl)-3-nitrobenzamide
- IUPAC
- N-naphthalen-1-yl-3-nitrobenzamide
- English name
- N-(1-Naphthlyl)-3-nitrobenzaMide, 97%
- Molecular formula
- C17H12N2O3
- Molecular weight
- 292.29
Names & synonyms
N-(naphthalen-1-yl)-3-nitrobenzamide63295-50-1N-1-naphthyl-3-nitrobenzamideN-naphthalen-1-yl-3-nitrobenzamideN-(1-Naphthyl)-3-nitrobenzamideMLS001194679CHEMBL1513660DTXSID70354466HMS2879L18N-naphthyl(3-nitrophenyl)carboxamideSTK248722AKOS001318326
Show more names
N-NAPHTHALEN-1-YL-3-NITRO-BENZAMIDEBenzamide, N-1-naphthalenyl-3-nitro-N-(1-Naphthyl)-3-nitrobenzamide, 97%N-(1-Naphthlyl)-3-nitrobenzaMide, 97%
SMR000554927EU-0003114ST50559707SR-01000414953SR-01000414953-1Z28155798
Database identifiers
- CAS
63295-50-1- PubChem CID
- 774367
- DTXSID
DTXSID70354466- ChEMBL
CHEMBL1513660- Nikkaji
- J1.885.121K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 197 °C · 197 °C(Solv: ethanol (64-17-5))
- Boiling point
- 418.8 · 418.8±28.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 12.53 · 12.53±0.30(Predicted)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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