Basic information
- CAS
685849-29-0- Standard SMILES
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1F- InChIKey
BZJAXBJYQYDDTI-UHFFFAOYSA-N- Molecular formula
- C14H12ClFN2O3
- Average molar mass
- 310.71 g/mol
- Monoisotopic mass
- 310.0520481
Names & identifiers
- Preferred name
- 3-Chloro-1-(2-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
- IUPAC
- 3-chloro-1-(2-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione
Names & synonyms
3-chloro-1-(2-fluorophenyl)-4-morpholin-4-ylpyrrole-2,5-dioneMLS001206807CHEMBL1374351DTXSID401327392HMS2819O153-Chloro-1-(2-fluoro-phenyl)-4-morpholin-4-yl-pyrrole-2,5-dioneAKOS000538045685849-29-0SMR000524284ST50285633SR-01000322221SR-01000322221-1
Show more names
Z996005803-Chloro-1-(2-fluorophenyl)-4-(morpholin-4-yl)-1H-pyrrole-2,5-dione3-CHLORO-1-(2-FLUOROPHENYL)-4-(MORPHOLIN-4-YL)PYRROLE-2,5-DIONE
Database identifiers
- CAS
685849-29-0- PubChem CID
- 734036
- DTXSID
DTXSID401327392- ChEMBL
CHEMBL1374351
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility38.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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