5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione

C12H8ClFN2O3 — CID 66423572

IUPAC5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1cc(Cl)c(=O)[nH]c1=O)c1ccccc1F
InChIInChI=1S/C12H8ClFN2O3/c13-8-5-16(12(19)15-11(8)18)6-10(17)7-3-1-2-4-9(7)14/h1-5H,6H2,(H,15,18,19)
InChIKeyAKTPOFVJTQZFSU-UHFFFAOYSA-N
MW282.66 g/mol
LogP1.21
Rot. Bonds3

About 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66423572) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66423572
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1cc(Cl)c(=O)[nH]c1=O)c1ccccc1F
InChIInChI=1S/C12H8ClFN2O3/c13-8-5-16(12(19)15-11(8)18)6-10(17)7-3-1-2-4-9(7)14/h1-5H,6H2,(H,15,18,19)
InChIKeyAKTPOFVJTQZFSU-UHFFFAOYSA-N
XLogP1.21
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 66423572) is 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1cc(Cl)c(=O)[nH]c1=O)c1ccccc1F.
What is the InChIKey of 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is AKTPOFVJTQZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c13-8-5-16(12(19)15-11(8)18)6-10(17)7-3-1-2-4-9(7)14/h1-5H,6H2,(H,15,18,19).
What are the key properties of 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 282.66 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66423572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).