N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide

C13H11F2N3O3 — CID 2148513

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide
SMILESCn1c(NC(=O)c2ccc(F)c(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H11F2N3O3/c1-17-10(6-11(19)18(2)13(17)21)16-12(20)7-3-4-8(14)9(15)5-7/h3-6H,1-2H3,(H,16,20)
InChIKeyNKHSXHGDVZYUMV-UHFFFAOYSA-N
MW295.25 g/mol
LogP0.61
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide (PubChem CID 2148513) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide
PubChem CID2148513
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide
SMILESCn1c(NC(=O)c2ccc(F)c(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H11F2N3O3/c1-17-10(6-11(19)18(2)13(17)21)16-12(20)7-3-4-8(14)9(15)5-7/h3-6H,1-2H3,(H,16,20)
InChIKeyNKHSXHGDVZYUMV-UHFFFAOYSA-N
XLogP0.61
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide (CID 2148513) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide is Cn1c(NC(=O)c2ccc(F)c(F)c2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide?
The InChIKey is NKHSXHGDVZYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-17-10(6-11(19)18(2)13(17)21)16-12(20)7-3-4-8(14)9(15)5-7/h3-6H,1-2H3,(H,16,20).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide has a molecular weight of 295.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3,4-difluorobenzamide is sourced from PubChem (CID 2148513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).