2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C18H16F2N2O3 — CID 51451946

IUPAC2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1ccc(N2C[C@@H](CNC(=O)c3c(F)cccc3F)OC2=O)cc1
InChIInChI=1S/C18H16F2N2O3/c1-11-5-7-12(8-6-11)22-10-13(25-18(22)24)9-21-17(23)16-14(19)3-2-4-15(16)20/h2-8,13H,9-10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyNJSPBXHKSMWKIO-CYBMUJFWSA-N
MW346.33 g/mol
LogP3.03
Rot. Bonds4

About 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 51451946) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID51451946
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCc1ccc(N2C[C@@H](CNC(=O)c3c(F)cccc3F)OC2=O)cc1
InChIInChI=1S/C18H16F2N2O3/c1-11-5-7-12(8-6-11)22-10-13(25-18(22)24)9-21-17(23)16-14(19)3-2-4-15(16)20/h2-8,13H,9-10H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyNJSPBXHKSMWKIO-CYBMUJFWSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328016
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 51451946) is 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is Cc1ccc(N2C[C@@H](CNC(=O)c3c(F)cccc3F)OC2=O)cc1.
What is the InChIKey of 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is NJSPBXHKSMWKIO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c1-11-5-7-12(8-6-11)22-10-13(25-18(22)24)9-21-17(23)16-14(19)3-2-4-15(16)20/h2-8,13H,9-10H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 346.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 51451946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).