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

C13H12FN3O5 — CID 169086181

IUPAC2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide
SMILESCOc1ccc(O)c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H12FN3O5/c1-22-7-2-3-10(18)9(4-7)15-11(19)6-17-5-8(14)12(20)16-13(17)21/h2-5,18H,6H2,1H3,(H,15,19)(H,16,20,21)
InChIKeyVPNKMYJLSKNGEN-UHFFFAOYSA-N
MW309.25 g/mol
LogP0.03
Rot. Bonds4

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

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide (PubChem CID 169086181) 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-(2-hydroxy-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide
PubChem CID169086181
Molecular FormulaC13H12FN3O5
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide
SMILESCOc1ccc(O)c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H12FN3O5/c1-22-7-2-3-10(18)9(4-7)15-11(19)6-17-5-8(14)12(20)16-13(17)21/h2-5,18H,6H2,1H3,(H,15,19)(H,16,20,21)
InChIKeyVPNKMYJLSKNGEN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-fluorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558377
N-(4-amino-2-chlorophenyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63558183
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 27449104
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 63799556
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
N-[3-cyano-1-(2-methylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 141328975
N-[3-cyano-1-(3,5-dimethylphenyl)pyrazol-5-yl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 141390322
5-fluoro-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734863
N-(2,5-dimethoxyphenyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853166
5-fluoro-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 55027813

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide (CID 169086181) is 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide is COc1ccc(O)c(NC(=O)Cn2cc(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-hydroxy-5-methoxyphenyl)acetamide?
The InChIKey is VPNKMYJLSKNGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O5/c1-22-7-2-3-10(18)9(4-7)15-11(19)6-17-5-8(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-(2-hydroxy-5-methoxyphenyl)acetamide?
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-(2-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-(2-hydroxy-5-methoxyphenyl)acetamide is sourced from PubChem (CID 169086181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).