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

C13H12FN3O3 — CID 2148460

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide
SMILESCn1c(NC(=O)c2cccc(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12FN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,19)
InChIKeyOFEDVHXJFZPFQJ-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.48
Rot. Bonds2

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

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide (PubChem CID 2148460) has the molecular formula C13H12FN3O3 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide
PubChem CID2148460
Molecular FormulaC13H12FN3O3
Molecular Weight277.25 g/mol
Exact Mass277.09
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide
SMILESCn1c(NC(=O)c2cccc(F)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12FN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,19)
InChIKeyOFEDVHXJFZPFQJ-UHFFFAOYSA-N
XLogP0.48
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.48
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-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide (CID 2148460) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide is Cn1c(NC(=O)c2cccc(F)c2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide?
The InChIKey is OFEDVHXJFZPFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,19).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-fluorobenzamide has a molecular weight of 277.25 g/mol, XLogP of 0.48, 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-fluorobenzamide is sourced from PubChem (CID 2148460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).