Basic information
- CAS
328931-57-3- Standard SMILES
O=C(NCCc1ccccc1)c1cccc(Br)c1- InChIKey
HMWLHGJHPSGMEB-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO
- Average molar mass
- 304.18 g/mol
- Monoisotopic mass
- 303.02588
Names & identifiers
- Preferred name
- 3-bromo-N-phenethylbenzamide
- IUPAC
- 3-bromo-N-(2-phenylethyl)benzamide
- English name
- 3-bromo-N-(2-phenylethyl)benzamide
- Molecular formula
- C15H14BrNO
- Molecular weight
- 304.18
Names & synonyms
3-bromo-N-(2-phenylethyl)benzamide3-bromo-N-phenethylbenzamide328931-57-33-Bromo-N-phenethyl-benzamideMLS001204895SMR000514946Cambridge id 5190274CBDivE_013032cid_787883CHEMBL1565959SCHEMBL10388319SCHEMBL29818055
Show more names
BDBM69683DTXSID20354956HMS2828P17STK154158AKOS0001788093-bromanyl-N-(2-phenylethyl)benzamideBenzamide, 3-bromo-N-(2-phenylethyl)-DB-366327
Database identifiers
- CAS
328931-57-3- PubChem CID
- 787883
- DTXSID
DTXSID20354956- ChEMBL
CHEMBL1565959
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Solubility10 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 449.3 · 449.3±38.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 14.41 · 14.41±0.46(Predicted)
Chemistry & industry
Suppliers2 total
VITAS-BB—
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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