3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide

C11H12F2N2O3 — CID 123286328

IUPAC3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide
SMILESCCC(Oc1ccc(F)c(C(N)=O)c1F)C(N)=O
InChIInChI=1S/C11H12F2N2O3/c1-2-6(10(14)16)18-7-4-3-5(12)8(9(7)13)11(15)17/h3-4,6H,2H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyPGIJEGPUHOLGJV-UHFFFAOYSA-N
MW258.22 g/mol
LogP0.71
Rot. Bonds5

About 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide

3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide (PubChem CID 123286328) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide
PubChem CID123286328
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide
SMILESCCC(Oc1ccc(F)c(C(N)=O)c1F)C(N)=O
InChIInChI=1S/C11H12F2N2O3/c1-2-6(10(14)16)18-7-4-3-5(12)8(9(7)13)11(15)17/h3-4,6H,2H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyPGIJEGPUHOLGJV-UHFFFAOYSA-N
XLogP0.71
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide?
The IUPAC name of 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide (CID 123286328) is 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide.
What is the SMILES notation for 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide?
The canonical SMILES for 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide is CCC(Oc1ccc(F)c(C(N)=O)c1F)C(N)=O.
What is the InChIKey of 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide?
The InChIKey is PGIJEGPUHOLGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-2-6(10(14)16)18-7-4-3-5(12)8(9(7)13)11(15)17/h3-4,6H,2H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide?
3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide has a molecular weight of 258.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1-oxobutan-2-yl)oxy-2,6-difluorobenzamide is sourced from PubChem (CID 123286328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).