2-bromo-N-[2-(4-chlorophenyl)ethyl]propanamide
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Basic information
- CAS
1119450-46-2- Standard SMILES
CC(Br)C(=O)NCCc1ccc(Cl)cc1- InChIKey
ZRIKJWRPOBCYNI-UHFFFAOYSA-N- Molecular formula
- C11H13BrClNO
- Average molar mass
- 290.58 g/mol
- Monoisotopic mass
- 288.9869
Names & identifiers
- Preferred name
- 2-bromo-N-[2-(4-chlorophenyl)ethyl]propanamide
- IUPAC
- 2-bromo-N-[2-(4-chlorophenyl)ethyl]propanamide
- English name
- 2-bromo-N-[2-(4-chlorophenyl)ethyl]propanamide
- Molecular formula
- C11H13BrClNO
- Molecular weight
- 290.58
Names & synonyms
2-bromo-N-[2-(4-chlorophenyl)ethyl]propanamide1119450-46-22-Bromo-N-(4-chlorophenethyl)propanamideMFCD12027368DTXSID101249535ALBB-007287STK504429AKOS000265811AKOS016345514LS-02712CS-0325244H24528
Show more names
bromo-N-[2-(4-chlorophenyl)ethyl]propanamidePropanamide, 2-bromo-N-[2-(4-chlorophenyl)ethyl]-
Database identifiers
- CAS
1119450-46-2- PubChem CID
- 25219783
- DTXSID
DTXSID101249535
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 421.1 · 421.1±35.0 °C(Predicted)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- pka
- 13.69 · 13.69±0.46(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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