2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
Basic information
- CAS
693815-65-5- Standard SMILES
O=C(COc1ccc(CO)cc1Cl)Nc1ccc(F)cc1- InChIKey
GCKSUKDFZLOFMQ-UHFFFAOYSA-N- Molecular formula
- C15H13ClFNO3
- Average molar mass
- 309.72 g/mol
- Monoisotopic mass
- 309.0567991
Names & identifiers
- Preferred name
- 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
- IUPAC
- 2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
- English name
- 2-[2-Chloro-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)-acetamide
- Molecular formula
- C15H13ClFNO3
- Molecular weight
- 309.72
Names & synonyms
2-[2-chloro-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide693815-65-5MLS000535580SMR0001430162-[2-chloro-4-(hydroxymethyl)phenoxy]-n-(4-fluorophenyl)-acetamideCBKinase1_004074CBKinase1_016474cid_894175CHEMBL1521476BDBM48252DTXSID10358423HMS2351A11
Show more names
ACETAMIDE, 2-[2-CHLORO-4-(HYDROXYMETHYL)PHENOXY]-N-(4-FLUOROPHENYL)-
STK199001AKOS000335841SR-01000266569SR-01000266569-1BRD-K74102822-001-01-42-(2-chloro-4-methylol-phenoxy)-N-(4-fluorophenyl)acetamide2-[2-chloranyl-4-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)ethanamide
Database identifiers
- CAS
693815-65-5- PubChem CID
- 894175
- DTXSID
DTXSID10358423- ChEMBL
CHEMBL1521476
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 542 · 542.0±50.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 12.13 · 12.13±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…