N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide

C18H16ClFN2O4 — CID 110328339

IUPACN-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(N2CC(CNC(=O)c3cccc(F)c3)OC2=O)cc1Cl
InChIInChI=1S/C18H16ClFN2O4/c1-25-16-6-5-13(8-15(16)19)22-10-14(26-18(22)24)9-21-17(23)11-3-2-4-12(20)7-11/h2-8,14H,9-10H2,1H3,(H,21,23)
InChIKeyYMTZLSOWJZIIFD-UHFFFAOYSA-N
MW378.79 g/mol
LogP3.24
Rot. Bonds5

About N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide

N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide (PubChem CID 110328339) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
PubChem CID110328339
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC NameN-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
SMILESCOc1ccc(N2CC(CNC(=O)c3cccc(F)c3)OC2=O)cc1Cl
InChIInChI=1S/C18H16ClFN2O4/c1-25-16-6-5-13(8-15(16)19)22-10-14(26-18(22)24)9-21-17(23)11-3-2-4-12(20)7-11/h2-8,14H,9-10H2,1H3,(H,21,23)
InChIKeyYMTZLSOWJZIIFD-UHFFFAOYSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328338
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
3,4-dimethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920432
3-fluoro-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110725933
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methoxybenzamide
CID 110328021
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
The IUPAC name of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide (CID 110328339) is N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide is COc1ccc(N2CC(CNC(=O)c3cccc(F)c3)OC2=O)cc1Cl.
What is the InChIKey of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
The InChIKey is YMTZLSOWJZIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c1-25-16-6-5-13(8-15(16)19)22-10-14(26-18(22)24)9-21-17(23)11-3-2-4-12(20)7-11/h2-8,14H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide?
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide has a molecular weight of 378.79 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 110328339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).