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

C18H15F3N2O4 — CID 110327902

IUPAC2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCOc1cccc(N2CC(CNC(=O)c3ccc(F)c(F)c3F)OC2=O)c1
InChIInChI=1S/C18H15F3N2O4/c1-26-11-4-2-3-10(7-11)23-9-12(27-18(23)25)8-22-17(24)13-5-6-14(19)16(21)15(13)20/h2-7,12H,8-9H2,1H3,(H,22,24)
InChIKeyVDCFOHFBZJMRAZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.87
Rot. Bonds5

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

2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 110327902) has the molecular formula C18H15F3N2O4 and a molecular weight of 380.32 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID110327902
Molecular FormulaC18H15F3N2O4
Molecular Weight380.32 g/mol
Exact Mass380.10
IUPAC Name2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCOc1cccc(N2CC(CNC(=O)c3ccc(F)c(F)c3F)OC2=O)c1
InChIInChI=1S/C18H15F3N2O4/c1-26-11-4-2-3-10(7-11)23-9-12(27-18(23)25)8-22-17(24)13-5-6-14(19)16(21)15(13)20/h2-7,12H,8-9H2,1H3,(H,22,24)
InChIKeyVDCFOHFBZJMRAZ-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
2-(difluoromethylsulfonyl)-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16921888
2,3,4-trifluoro-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110710361
2-fluoro-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327764
3,5-dimethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327773
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
2-methoxy-N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328391
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-fluorobenzamide
CID 110328338
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
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 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 110327902) is 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is COc1cccc(N2CC(CNC(=O)c3ccc(F)c(F)c3F)OC2=O)c1.
What is the InChIKey of 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is VDCFOHFBZJMRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O4/c1-26-11-4-2-3-10(7-11)23-9-12(27-18(23)25)8-22-17(24)13-5-6-14(19)16(21)15(13)20/h2-7,12H,8-9H2,1H3,(H,22,24).
What are the key properties of 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 380.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 110327902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).