5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

C15H9FN2O5 — CID 24856274

IUPAC5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)C(=O)N1
InChIInChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
InChIKeyDHYWKROGVBRSQF-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.54
Rot. Bonds2

About 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 24856274) has the molecular formula C15H9FN2O5 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID24856274
Molecular FormulaC15H9FN2O5
Molecular Weight316.24 g/mol
Exact Mass316.05
IUPAC Name5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)C(=O)N1
InChIInChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
InChIKeyDHYWKROGVBRSQF-UHFFFAOYSA-N
XLogP1.54
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 72698545
5-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 21208584
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
methyl 2-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 59190215
methyl 2-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 72539022
5-[[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 66554114
cyclohexyl 3-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate
CID 50887798
(5E)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7333845
N-cyclopropyl-3-[5-[(E)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzamide
CID 59190242
(3E)-3-[[5-[3-(2-cyclopropylacetyl)phenyl]furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 159676343
(5E)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 126017539
1-(3,4-dimethylphenyl)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1341344

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 24856274) is 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3O)o2)C(=O)N1.
What is the InChIKey of 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is DHYWKROGVBRSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22).
What are the key properties of 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 316.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24856274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).