2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H16F2N2O3 — CID 16920797

IUPAC2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C18H16F2N2O3/c19-13-3-1-12(2-4-13)9-17(23)21-10-16-11-22(18(24)25-16)15-7-5-14(20)6-8-15/h1-8,16H,9-11H2,(H,21,23)
InChIKeySMKHWLVCCPPCIR-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.65
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 16920797) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID16920797
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CN(c2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C18H16F2N2O3/c19-13-3-1-12(2-4-13)9-17(23)21-10-16-11-22(18(24)25-16)15-7-5-14(20)6-8-15/h1-8,16H,9-11H2,(H,21,23)
InChIKeySMKHWLVCCPPCIR-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 16920797) is 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCC1CN(c2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SMKHWLVCCPPCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-13-3-1-12(2-4-13)9-17(23)21-10-16-11-22(18(24)25-16)15-7-5-14(20)6-8-15/h1-8,16H,9-11H2,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 346.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 16920797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).