2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide

C13H12FN3O5 — CID 169086197

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide
SMILESCOc1cc(O)cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H12FN3O5/c1-22-9-3-7(2-8(18)4-9)15-11(19)6-17-5-10(14)12(20)16-13(17)21/h2-5,18H,6H2,1H3,(H,15,19)(H,16,20,21)
InChIKeyUFAWBYHGPJWNHO-UHFFFAOYSA-N
MW309.25 g/mol
LogP0.03
Rot. Bonds4

About 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide (PubChem CID 169086197) has the molecular formula C13H12FN3O5 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide
PubChem CID169086197
Molecular FormulaC13H12FN3O5
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide
SMILESCOc1cc(O)cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H12FN3O5/c1-22-9-3-7(2-8(18)4-9)15-11(19)6-17-5-10(14)12(20)16-13(17)21/h2-5,18H,6H2,1H3,(H,15,19)(H,16,20,21)
InChIKeyUFAWBYHGPJWNHO-UHFFFAOYSA-N
XLogP0.03
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide (CID 169086197) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide is COc1cc(O)cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide?
The InChIKey is UFAWBYHGPJWNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O5/c1-22-9-3-7(2-8(18)4-9)15-11(19)6-17-5-10(14)12(20)16-13(17)21/h2-5,18H,6H2,1H3,(H,15,19)(H,16,20,21).
What are the key properties of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide has a molecular weight of 309.25 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(3-hydroxy-5-methoxyphenyl)acetamide is sourced from PubChem (CID 169086197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).