5-chloro-2-methoxy-N-(4-nitrophenyl)benzamide
Basic information
- CAS
461035-53-0- Standard SMILES
COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
IFTKKAQLGWQRQK-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O4
- Average molar mass
- 306.7 g/mol
- Monoisotopic mass
- 306.0407345
Names & identifiers
- Preferred name
- 5-chloro-2-methoxy-N-(4-nitrophenyl)benzamide
- IUPAC
- 5-chloro-2-methoxy-N-(4-nitrophenyl)benzamide
- English name
- 5-Chloro-2-methoxy-N-(4-nitrophenyl)benzamide
- Molecular formula
- C14H11ClN2O4
- Molecular weight
- 306.7
Names & synonyms
5-chloro-2-methoxy-N-(4-nitrophenyl)benzamideOprea1_370215CHEMBL2089013AKOS003851635Benzamide, 5-chloro-2-methoxy-N-(4-nitrophenyl)-
Database identifiers
- CAS
461035-53-0- PubChem CID
- 4047641
- ChEMBL
CHEMBL2089013- EC Number
- 126-506-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 209 · 209-211 °C
- Boiling point
- 412.967 · 412.967±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.888 · 11.888±0.70(predicted)
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Compound notes
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