Basic information
- CAS
58494-94-3- Standard SMILES
COc1cccc(NC(=O)c2ccccc2Br)c1- InChIKey
KJBDNSBCXSIQMA-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO2
- Average molar mass
- 306.15 g/mol
- Monoisotopic mass
- 305.00514
Overview
2-bromo-N-(3-methoxyphenyl)benzamide is a member of benzamides.
Names & identifiers
- Preferred name
- 2-bromo-N-(3-methoxyphenyl)benzamide
- IUPAC
- 2-bromo-N-(3-methoxyphenyl)benzamide
- English name
- Benzamide, 2-bromo-N-(3-methoxyphenyl)-
- Molecular formula
- C14H12BrNO2
- Molecular weight
- 306.15
Names & synonyms
2-bromo-N-(3-methoxyphenyl)benzamide58494-94-3DTXSID30355272RefChem:257567DTXCID003063322-Bromo-N-(3-methoxy-phenyl)-benzamideBenzamide, 2-bromo-N-(3-methoxyphenyl)-MLS001207887SMR000504856Cambridge id 5329120Oprea1_305310Oprea1_312144
Show more names
cid_795409SCHEMBL1499642CHEMBL1529274SCHEMBL30758588BDBM53043CHEBI:108187HMS2825K11STK031356
Database identifiers
- CAS
58494-94-3- PubChem CID
- 795409
- DTXSID
DTXSID30355272- ChEMBL
CHEMBL1529274- ChEBI
CHEBI:108187
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
Solubility>45.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 162 °C · 162 °C(Solv: benzene (71-43-2))
- Boiling point
- 342.4 · 342.4±27.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- pka
- 12.3 · 12.30±0.70(Predicted)
Chemistry & industry
Suppliers2 total
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Additional notes
DefinitionChEBI: 2-bromo-N-(3-methoxyphenyl)benzamide is a member of benzamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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