[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

C18H13FN2O5 — CID 24981933

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O5/c19-12-7-5-11(6-8-12)15(22)10-26-16(23)9-21-18(25)14-4-2-1-3-13(14)17(24)20-21/h1-8H,9-10H2,(H,20,24)
InChIKeyUTRSSLBRDGTRJW-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.25
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (PubChem CID 24981933) has the molecular formula C18H13FN2O5 and a molecular weight of 356.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
PubChem CID24981933
Molecular FormulaC18H13FN2O5
Molecular Weight356.31 g/mol
Exact Mass356.08
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O5/c19-12-7-5-11(6-8-12)15(22)10-26-16(23)9-21-18(25)14-4-2-1-3-13(14)17(24)20-21/h1-8H,9-10H2,(H,20,24)
InChIKeyUTRSSLBRDGTRJW-UHFFFAOYSA-N
XLogP1.25
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CID 24981933) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The InChIKey is UTRSSLBRDGTRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O5/c19-12-7-5-11(6-8-12)15(22)10-26-16(23)9-21-18(25)14-4-2-1-3-13(14)17(24)20-21/h1-8H,9-10H2,(H,20,24).
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate has a molecular weight of 356.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is sourced from PubChem (CID 24981933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).