[2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C14H12FNO4 — CID 573250

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO4/c1-9-12(6-7-19-9)14(18)20-8-13(17)16-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyCYEIPRFBJNEQKQ-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.52
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 573250) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID573250
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H12FNO4/c1-9-12(6-7-19-9)14(18)20-8-13(17)16-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyCYEIPRFBJNEQKQ-UHFFFAOYSA-N
XLogP2.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 573250) is [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is CYEIPRFBJNEQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-9-12(6-7-19-9)14(18)20-8-13(17)16-11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 573250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).