2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide

C12H12F2N2O3 — CID 140595706

IUPAC2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CON(CC(F)F)C1=O
InChIInChI=1S/C12H12F2N2O3/c13-10(14)5-16-12(18)9(6-19-16)7-3-1-2-4-8(7)11(15)17/h1-4,9-10H,5-6H2,(H2,15,17)/t9-/m0/s1
InChIKeyAUMAUJFSNZSYGK-VIFPVBQESA-N
MW270.24 g/mol
LogP0.91
Rot. Bonds4

About 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide

2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide (PubChem CID 140595706) has the molecular formula C12H12F2N2O3 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide.

Molecular Properties

Compound Name2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
PubChem CID140595706
Molecular FormulaC12H12F2N2O3
Molecular Weight270.24 g/mol
Exact Mass270.08
IUPAC Name2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide
SMILESNC(=O)c1ccccc1[C@@H]1CON(CC(F)F)C1=O
InChIInChI=1S/C12H12F2N2O3/c13-10(14)5-16-12(18)9(6-19-16)7-3-1-2-4-8(7)11(15)17/h1-4,9-10H,5-6H2,(H2,15,17)/t9-/m0/s1
InChIKeyAUMAUJFSNZSYGK-VIFPVBQESA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The IUPAC name of 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide (CID 140595706) is 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide.
What is the SMILES notation for 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The canonical SMILES for 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide is NC(=O)c1ccccc1[C@@H]1CON(CC(F)F)C1=O.
What is the InChIKey of 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
The InChIKey is AUMAUJFSNZSYGK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12F2N2O3/c13-10(14)5-16-12(18)9(6-19-16)7-3-1-2-4-8(7)11(15)17/h1-4,9-10H,5-6H2,(H2,15,17)/t9-/m0/s1.
What are the key properties of 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide?
2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide has a molecular weight of 270.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]benzamide is sourced from PubChem (CID 140595706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).