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

C22H20F2N2O4 — CID 10295264

IUPACN-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C(C)=O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H20F2N2O4/c1-13(27)15-4-3-5-16(8-15)20(23)9-17-6-7-18(10-21(17)24)26-12-19(30-22(26)29)11-25-14(2)28/h3-10,19H,11-12H2,1-2H3,(H,25,28)/b20-9-/t19-/m0/s1
InChIKeyXQBKYMXPRPIJCT-YYRDAMDZSA-N
MW414.41 g/mol
LogP3.96
Rot. Bonds6

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

N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10295264) has the molecular formula C22H20F2N2O4 and a molecular weight of 414.41 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10295264
Molecular FormulaC22H20F2N2O4
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC NameN-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C(C)=O)c3)c(F)c2)C(=O)O1
InChIInChI=1S/C22H20F2N2O4/c1-13(27)15-4-3-5-16(8-15)20(23)9-17-6-7-18(10-21(17)24)26-12-19(30-22(26)29)11-25-14(2)28/h3-10,19H,11-12H2,1-2H3,(H,25,28)/b20-9-/t19-/m0/s1
InChIKeyXQBKYMXPRPIJCT-YYRDAMDZSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10295264) is N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)c3cccc(C(C)=O)c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XQBKYMXPRPIJCT-YYRDAMDZSA-N. The full InChI is InChI=1S/C22H20F2N2O4/c1-13(27)15-4-3-5-16(8-15)20(23)9-17-6-7-18(10-21(17)24)26-12-19(30-22(26)29)11-25-14(2)28/h3-10,19H,11-12H2,1-2H3,(H,25,28)/b20-9-/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 414.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[(Z)-2-(3-acetylphenyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10295264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).