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

C14H14FN3O5 — CID 175912160

IUPACN-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C14H14FN3O5/c1-22-9-3-8(4-10(5-9)23-2)16-12(19)7-18-6-11(15)13(20)17-14(18)21/h3-6H,7H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyXQQMSLCDQNSZIW-UHFFFAOYSA-N
MW323.28 g/mol
LogP0.33
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 175912160) has the molecular formula C14H14FN3O5 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID175912160
Molecular FormulaC14H14FN3O5
Molecular Weight323.28 g/mol
Exact Mass323.09
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc(OC)c1
InChIInChI=1S/C14H14FN3O5/c1-22-9-3-8(4-10(5-9)23-2)16-12(19)7-18-6-11(15)13(20)17-14(18)21/h3-6H,7H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyXQQMSLCDQNSZIW-UHFFFAOYSA-N
XLogP0.33
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide (CID 175912160) is N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is COc1cc(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is XQQMSLCDQNSZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O5/c1-22-9-3-8(4-10(5-9)23-2)16-12(19)7-18-6-11(15)13(20)17-14(18)21/h3-6H,7H2,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide?
N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 323.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 175912160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).