2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C18H17FN2O3 — CID 110327764

IUPAC2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1cccc(N2CC(CNC(=O)c3ccccc3F)OC2=O)c1
InChIInChI=1S/C18H17FN2O3/c1-12-5-4-6-13(9-12)21-11-14(24-18(21)23)10-20-17(22)15-7-2-3-8-16(15)19/h2-9,14H,10-11H2,1H3,(H,20,22)
InChIKeyVGIHUMCVDCCGHA-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.89
Rot. Bonds4

About 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 110327764) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID110327764
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1cccc(N2CC(CNC(=O)c3ccccc3F)OC2=O)c1
InChIInChI=1S/C18H17FN2O3/c1-12-5-4-6-13(9-12)21-11-14(24-18(21)23)10-20-17(22)15-7-2-3-8-16(15)19/h2-9,14H,10-11H2,1H3,(H,20,22)
InChIKeyVGIHUMCVDCCGHA-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 110327764) is 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is Cc1cccc(N2CC(CNC(=O)c3ccccc3F)OC2=O)c1.
What is the InChIKey of 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is VGIHUMCVDCCGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-12-5-4-6-13(9-12)21-11-14(24-18(21)23)10-20-17(22)15-7-2-3-8-16(15)19/h2-9,14H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 328.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 110327764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).