4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C23H18F2N2O4 — CID 24994011

IUPAC4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O4/c24-16-5-1-15(2-6-16)22(29)26-13-20-21(14-3-11-19(28)12-4-14)27(23(30)31-20)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21-/m1/s1
InChIKeyHMTTWPQXSLGNRG-NHCUHLMSSA-N
MW424.40 g/mol
LogP4.17
Rot. Bonds5

About 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 24994011) has the molecular formula C23H18F2N2O4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID24994011
Molecular FormulaC23H18F2N2O4
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Name4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O4/c24-16-5-1-15(2-6-16)22(29)26-13-20-21(14-3-11-19(28)12-4-14)27(23(30)31-20)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21-/m1/s1
InChIKeyHMTTWPQXSLGNRG-NHCUHLMSSA-N
XLogP4.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 24994011) is 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is O=C(NC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is HMTTWPQXSLGNRG-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H18F2N2O4/c24-16-5-1-15(2-6-16)22(29)26-13-20-21(14-3-11-19(28)12-4-14)27(23(30)31-20)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21-/m1/s1.
What are the key properties of 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 424.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 24994011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).