4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
Basic information
- CAS
306279-63-0- Standard SMILES
COc1ccc(CCNC(=O)c2ccc(Br)cc2)cc1- InChIKey
SBQSILRNDOFOTD-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO2
- Average molar mass
- 334.21 g/mol
- Monoisotopic mass
- 333.03644
Names & identifiers
- Preferred name
- 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
- IUPAC
- 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
- English name
- 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
- Molecular formula
- C16H16BrNO2
- Molecular weight
- 334.21
Names & synonyms
4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide306279-63-0F3096-16484-bromo-N-(4-methoxyphenethyl)benzamideOprea1_111233Oprea1_571023MLS001194719CHEMBL1873271DTXSID901330861HMS2853K15SMSSF-0053325STK408669
Show more names
AKOS000192904SMR000554842ST50185202N-[2-(p-methoxyphenyl)ethyl]p-bromobenzamideVU0006693-2AF-399/32355026SR-01000408783SR-01000408783-1
Database identifiers
- CAS
306279-63-0- PubChem CID
- 700569
- DTXSID
DTXSID901330861- ChEMBL
CHEMBL1873271
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 491.7 · 491.7±35.0 °C(Predicted)
- Density
- 1.352 · 1.352±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 14.27 · 14.27±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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