2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
Basic information
- CAS
693816-01-2- Standard SMILES
COc1cc(CO)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1- InChIKey
ZXNRYWUNPRBWAI-UHFFFAOYSA-N- Molecular formula
- C16H15ClFNO4
- Average molar mass
- 339.74 g/mol
- Monoisotopic mass
- 339.0673638
Names & identifiers
- Preferred name
- 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
- IUPAC
- 2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
- English name
- 2-[2-Chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)-acetamide
- Molecular formula
- C16H15ClFNO4
- Molecular weight
- 339.75
Names & synonyms
693816-01-22-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamideSTK1989742-[2-CHLORO-4-(HYDROXYMETHYL)-6-METHOXYPHENOXY]-N-(4-FLUOROPHENYL)-ACETAMIDEDTXSID30358425AKOS000336010SR-01000266591SR-01000266591-1ACETAMIDE, 2-[2-CHLORO-4-(HYDROXYMETHYL)-6-METHOXYPHENOXY]-N-(4-FLUOROPHENYL)-
Database identifiers
- CAS
693816-01-2- PubChem CID
- 894196
- DTXSID
DTXSID30358425
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 556.3 · 556.3±50.0 °C(Predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Predicted)
- pka
- 12.09 · 12.09±0.70(Predicted)
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Compound notes
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