N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide

C12H10FN3O3 — CID 2148527

IUPACN-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-10(17)14-9-6-11(18)16-12(19)15-9/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
InChIKeyFWWKNGYHCIBBPW-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.38
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 2148527) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide
PubChem CID2148527
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-10(17)14-9-6-11(18)16-12(19)15-9/h1-4,6H,5H2,(H3,14,15,16,17,18,19)
InChIKeyFWWKNGYHCIBBPW-UHFFFAOYSA-N
XLogP0.38
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide (CID 2148527) is N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is FWWKNGYHCIBBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-8-3-1-7(2-4-8)5-10(17)14-9-6-11(18)16-12(19)15-9/h1-4,6H,5H2,(H3,14,15,16,17,18,19).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide?
N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 263.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-6-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2148527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).