3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide

C11H8F2N2O3 — CID 23148988

IUPAC3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)oc2c(F)cc(F)cc12
InChIInChI=1S/C11H8F2N2O3/c1-4(16)15-8-6-2-5(12)3-7(13)9(6)18-10(8)11(14)17/h2-3H,1H3,(H2,14,17)(H,15,16)
InChIKeyWIEAEHRHLNNPMD-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.77
Rot. Bonds2

About 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide

3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide (PubChem CID 23148988) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide
PubChem CID23148988
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1c(C(N)=O)oc2c(F)cc(F)cc12
InChIInChI=1S/C11H8F2N2O3/c1-4(16)15-8-6-2-5(12)3-7(13)9(6)18-10(8)11(14)17/h2-3H,1H3,(H2,14,17)(H,15,16)
InChIKeyWIEAEHRHLNNPMD-UHFFFAOYSA-N
XLogP1.77
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide?
The IUPAC name of 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide (CID 23148988) is 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide is CC(=O)Nc1c(C(N)=O)oc2c(F)cc(F)cc12.
What is the InChIKey of 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide?
The InChIKey is WIEAEHRHLNNPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c1-4(16)15-8-6-2-5(12)3-7(13)9(6)18-10(8)11(14)17/h2-3H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide?
3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide has a molecular weight of 254.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-5,7-difluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 23148988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).