1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

C12H8BrFN2O3 — CID 60735145

IUPAC1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrFN2O3/c13-8-3-1-7(2-4-8)10(17)6-16-5-9(14)11(18)15-12(16)19/h1-5H,6H2,(H,15,18,19)
InChIKeyCBPBHTHKWTUTHS-UHFFFAOYSA-N
MW327.11 g/mol
LogP1.32
Rot. Bonds3

About 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 60735145) has the molecular formula C12H8BrFN2O3 and a molecular weight of 327.11 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID60735145
Molecular FormulaC12H8BrFN2O3
Molecular Weight327.11 g/mol
Exact Mass325.97
IUPAC Name1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrFN2O3/c13-8-3-1-7(2-4-8)10(17)6-16-5-9(14)11(18)15-12(16)19/h1-5H,6H2,(H,15,18,19)
InChIKeyCBPBHTHKWTUTHS-UHFFFAOYSA-N
XLogP1.32
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (CID 60735145) is 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is O=C(Cn1cc(F)c(=O)[nH]c1=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is CBPBHTHKWTUTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O3/c13-8-3-1-7(2-4-8)10(17)6-16-5-9(14)11(18)15-12(16)19/h1-5H,6H2,(H,15,18,19).
What are the key properties of 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 327.11 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 60735145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).