2-Bromo-N-[2-(2-phenoxyethoxy)phenyl]acetamide
Basic information
- CAS
1138442-45-1- Standard SMILES
O=C(CBr)Nc1ccccc1OCCOc1ccccc1- InChIKey
XCUKOCSCCMSUKB-UHFFFAOYSA-N- Molecular formula
- C16H16BrNO3
- Average molar mass
- 350.21 g/mol
- Monoisotopic mass
- 349.03136
Names & identifiers
- Preferred name
- 2-Bromo-N-[2-(2-phenoxyethoxy)phenyl]acetamide
- IUPAC
- 2-bromo-N-[2-(2-phenoxyethoxy)phenyl]acetamide
- English name
- 2-Bromo-N-[2-(2-phenoxyethoxy)phenyl]acetamide
- Molecular formula
- C16H16BrNO3
- Molecular weight
- 350.21
Names & synonyms
2-BROMO-N-[2-(2-PHENOXYETHOXY)PHENYL]ACETAMIDE1138442-45-1Acetamide, 2-bromo-N-[2-(2-phenoxyethoxy)phenyl]-DTXSID901245444AKOS005348593
Database identifiers
- CAS
1138442-45-1- PubChem CID
- 46736638
- DTXSID
DTXSID901245444
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 502.1 · 502.1±40.0 °C(Predicted)
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- 11.88 · 11.88±0.70(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
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Related reactions
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Compound notes
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