2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide

C12H10FN3O3 — CID 66758562

IUPAC2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-9(17)16-10-11(18)14-6-15-12(10)19/h1-4,6H,5H2,(H,16,17)(H2,14,15,18,19)
InChIKeyTUVNQCAXQXQWOI-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.80
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide

2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 66758562) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID66758562
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-9(17)16-10-11(18)14-6-15-12(10)19/h1-4,6H,5H2,(H,16,17)(H2,14,15,18,19)
InChIKeyTUVNQCAXQXQWOI-UHFFFAOYSA-N
XLogP0.80
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 66758562) is 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide is O=C(Cc1ccc(F)cc1)Nc1c(O)nc[nH]c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is TUVNQCAXQXQWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-9(17)16-10-11(18)14-6-15-12(10)19/h1-4,6H,5H2,(H,16,17)(H2,14,15,18,19).
What are the key properties of 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide?
2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 263.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 66758562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).