(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate

C20H16F2N2O4 — CID 59096430

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCn1cc(F)c(=O)[nH]c1=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H16F2N2O4/c1-12(19(26)28-11-24-10-17(22)18(25)23-20(24)27)14-7-8-15(16(21)9-14)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,23,25,27)
InChIKeyFMHDFKYULDQBFP-UHFFFAOYSA-N
MW386.35 g/mol
LogP2.79
Rot. Bonds5

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 59096430) has the molecular formula C20H16F2N2O4 and a molecular weight of 386.35 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID59096430
Molecular FormulaC20H16F2N2O4
Molecular Weight386.35 g/mol
Exact Mass386.11
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCC(C(=O)OCn1cc(F)c(=O)[nH]c1=O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C20H16F2N2O4/c1-12(19(26)28-11-24-10-17(22)18(25)23-20(24)27)14-7-8-15(16(21)9-14)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,23,25,27)
InChIKeyFMHDFKYULDQBFP-UHFFFAOYSA-N
XLogP2.79
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 59096430) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate is CC(C(=O)OCn1cc(F)c(=O)[nH]c1=O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is FMHDFKYULDQBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O4/c1-12(19(26)28-11-24-10-17(22)18(25)23-20(24)27)14-7-8-15(16(21)9-14)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,23,25,27).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 386.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 59096430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).