Basic information
- CAS
333343-48-9- Standard SMILES
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(F)c1- InChIKey
GWXGCKLRQNIFNK-UHFFFAOYSA-N- Molecular formula
- C11H8FN3O3
- Average molar mass
- 249.2 g/mol
- Monoisotopic mass
- 249.05496929
Names & identifiers
- Preferred name
- ST031403
- IUPAC
- N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-fluorobenzamide
- English name
- Benzamide, 3-fluoro-N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)- (9CI)
- Molecular formula
- C11H8FN3O3
- Molecular weight
- 249.1979232
Names & synonyms
333343-48-9ST031403DTXSID00351943RefChem:381332DTXCID60303009N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-fluorobenzamideN-(2,4-Dioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-3-FluorobenzamideHMS2883D22Oprea1_658600MLS001197018CHEMBL1454936AKOS001649426
Show more names
Benzamide, 3-fluoro-N-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)- (9CI)
SMR000555713AG-690/12886744N-(2,4-dioxo(1,3-dihydropyrimidin-5-yl))(3-fluorophenyl)carboxamide
Database identifiers
- CAS
333343-48-9- PubChem CID
- 714775
- DTXSID
DTXSID00351943- ChEMBL
CHEMBL1454936
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Solubility12.2 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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