[2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate

C14H11F2NO5 — CID 90080723

IUPAC[2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1OC(C)=O
InChIInChI=1S/C14H11F2NO5/c1-6(18)17-14-13(21-7(2)19)11(20)12(22-14)8-3-9(15)5-10(16)4-8/h3-5,20H,1-2H3,(H,17,18)
InChIKeyHRCRJRHLMKLYKW-UHFFFAOYSA-N
MW311.24 g/mol
LogP2.81
Rot. Bonds3

About [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate

[2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90080723) has the molecular formula C14H11F2NO5 and a molecular weight of 311.24 g/mol. Its IUPAC name is [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90080723
Molecular FormulaC14H11F2NO5
Molecular Weight311.24 g/mol
Exact Mass311.06
IUPAC Name[2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1OC(C)=O
InChIInChI=1S/C14H11F2NO5/c1-6(18)17-14-13(21-7(2)19)11(20)12(22-14)8-3-9(15)5-10(16)4-8/h3-5,20H,1-2H3,(H,17,18)
InChIKeyHRCRJRHLMKLYKW-UHFFFAOYSA-N
XLogP2.81
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90080723) is [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Nc1oc(-c2cc(F)cc(F)c2)c(O)c1OC(C)=O.
What is the InChIKey of [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is HRCRJRHLMKLYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO5/c1-6(18)17-14-13(21-7(2)19)11(20)12(22-14)8-3-9(15)5-10(16)4-8/h3-5,20H,1-2H3,(H,17,18).
What are the key properties of [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 311.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetamido-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90080723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).