Basic information
- CAS
477889-36-4- Standard SMILES
Cc1ccc(CNC(=O)C=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1- InChIKey
VQEKUIYBQSXCEM-UHFFFAOYSA-N- Molecular formula
- C24H22BrNO2
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 435.08339
Names & identifiers
- Preferred name
- 3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
- IUPAC
- 3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
- English name
- (E)-3-(4-[(4-BROMOBENZYL)OXY]PHENYL)-N-(4-METHYLBENZYL)-2-PROPENAMIDE
- Molecular formula
- C24H22BrNO2
- Molecular weight
- 436.34
Names & synonyms
(E)-3-(4-[(4-BROMOBENZYL)OXY]PHENYL)-N-(4-METHYLBENZYL)-2-PROPENAMIDE2-Propenamide, 3-[4-[(4-bromophenyl)methoxy]phenyl]-N-[(4-methylphenyl)methyl]-(2E)-3-{4-[(4-bromophenyl)methoxy]phenyl}-N-[(4-methylphenyl)methyl]prop-2-enamide
Database identifiers
- CAS
477889-36-4- PubChem CID
- 3811967
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Boiling point
- 645.1 · 645.1±55.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 14.62 · 14.62±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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