1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione

C13H11F2N3O2 — CID 176562532

IUPAC1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc2c(F)c(N3CCC(=O)NC3=O)c(F)cc21
InChIInChI=1S/C13H11F2N3O2/c1-17-4-2-7-9(17)6-8(14)12(11(7)15)18-5-3-10(19)16-13(18)20/h2,4,6H,3,5H2,1H3,(H,16,19,20)
InChIKeyVNTKWBJFOWLHTG-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.90
Rot. Bonds1

About 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione

1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 176562532) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
PubChem CID176562532
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione
SMILESCn1ccc2c(F)c(N3CCC(=O)NC3=O)c(F)cc21
InChIInChI=1S/C13H11F2N3O2/c1-17-4-2-7-9(17)6-8(14)12(11(7)15)18-5-3-10(19)16-13(18)20/h2,4,6H,3,5H2,1H3,(H,16,19,20)
InChIKeyVNTKWBJFOWLHTG-UHFFFAOYSA-N
XLogP1.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione (CID 176562532) is 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione is Cn1ccc2c(F)c(N3CCC(=O)NC3=O)c(F)cc21.
What is the InChIKey of 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is VNTKWBJFOWLHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-17-4-2-7-9(17)6-8(14)12(11(7)15)18-5-3-10(19)16-13(18)20/h2,4,6H,3,5H2,1H3,(H,16,19,20).
What are the key properties of 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione?
1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 279.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-1-methylindol-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176562532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).