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

C21H19FN2O4 — CID 142992420

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate
SMILESCc1cc(C(C)C(=O)OCn2cc(F)c(=O)[nH]c2=O)ccc1-c1ccccc1
InChIInChI=1S/C21H19FN2O4/c1-13-10-16(8-9-17(13)15-6-4-3-5-7-15)14(2)20(26)28-12-24-11-18(22)19(25)23-21(24)27/h3-11,14H,12H2,1-2H3,(H,23,25,27)
InChIKeyANGSTYIREMQTRJ-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.96
Rot. Bonds5

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

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate (PubChem CID 142992420) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate
PubChem CID142992420
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate
SMILESCc1cc(C(C)C(=O)OCn2cc(F)c(=O)[nH]c2=O)ccc1-c1ccccc1
InChIInChI=1S/C21H19FN2O4/c1-13-10-16(8-9-17(13)15-6-4-3-5-7-15)14(2)20(26)28-12-24-11-18(22)19(25)23-21(24)27/h3-11,14H,12H2,1-2H3,(H,23,25,27)
InChIKeyANGSTYIREMQTRJ-UHFFFAOYSA-N
XLogP2.96
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.96
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-methyl-4-phenylphenyl)propanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate (CID 142992420) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate is Cc1cc(C(C)C(=O)OCn2cc(F)c(=O)[nH]c2=O)ccc1-c1ccccc1.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate?
The InChIKey is ANGSTYIREMQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-13-10-16(8-9-17(13)15-6-4-3-5-7-15)14(2)20(26)28-12-24-11-18(22)19(25)23-21(24)27/h3-11,14H,12H2,1-2H3,(H,23,25,27).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-(3-methyl-4-phenylphenyl)propanoate has a molecular weight of 382.39 g/mol, XLogP of 2.96, 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-methyl-4-phenylphenyl)propanoate is sourced from PubChem (CID 142992420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).