5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione

C18H13FN2O3 — CID 2836561

IUPAC5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc(F)cc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H13FN2O3/c1-20-16(22)15(11-12-7-9-13(19)10-8-12)17(23)21(18(20)24)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyVKYXESZIPSGQGT-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.83
Rot. Bonds2

About 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione

5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 2836561) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID2836561
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Cc2ccc(F)cc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H13FN2O3/c1-20-16(22)15(11-12-7-9-13(19)10-8-12)17(23)21(18(20)24)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyVKYXESZIPSGQGT-UHFFFAOYSA-N
XLogP2.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(5Z)-5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 2056044
5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 19166951
(5E)-5-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-(methoxymethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 21230196
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
5-[(2,4-dimethoxyphenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 1047652
1,3-dimethyl-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2261786
(3Z)-3-benzylidene-4-(4-fluorophenyl)-1,5-diphenyl-4H-pyrrolo[3,4-b]pyrrole-2,6-dione
CID 6157896
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
(5Z)-5-[[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 124533018
5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 126025909

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione (CID 2836561) is 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=Cc2ccc(F)cc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VKYXESZIPSGQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-20-16(22)15(11-12-7-9-13(19)10-8-12)17(23)21(18(20)24)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 324.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-1-methyl-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2836561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).