2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-phenylacetamide
Basic information
- CAS
693812-22-5- Standard SMILES
O=C(COc1ccc(CO)cc1Br)Nc1ccccc1- InChIKey
XVNPFNRJJILLKP-UHFFFAOYSA-N- Molecular formula
- C15H14BrNO3
- Average molar mass
- 336.18 g/mol
- Monoisotopic mass
- 335.01571
Names & identifiers
- Preferred name
- 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-phenylacetamide
- IUPAC
- 2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-phenylacetamide
- English name
- 2-[2-Bromo-4-(hydroxymethyl)phenoxy]-N-phenyl-acetamide
- Molecular formula
- C15H14BrNO3
- Molecular weight
- 336.18
Names & synonyms
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-phenylacetamide693812-22-5ZINC004706092-[2-Bromo-4-(hydroxymethyl)phenoxy]-N-phenyl-acetamideDTXSID40358416STK195581AKOS000336585SR-01000266347SR-01000266347-1ACETAMIDE, 2-[2-BROMO-4-(HYDROXYMETHYL)PHENOXY]-N-PHENYL-
Database identifiers
- CAS
693812-22-5- PubChem CID
- 894017
- DTXSID
DTXSID40358416
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 567.7 · 567.7±45.0 °C(Predicted)
- Density
- 1.521 · 1.521±0.06 g/cm3(Predicted)
- pka
- 13.17 · 13.17±0.70(Predicted)
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Compound notes
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