4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide

C22H16ClFN2O4S — CID 155387969

IUPAC4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)CSC1c1cccc(O)c1)c1ccc(Cl)cc1Oc1ccccc1F
InChIInChI=1S/C22H16ClFN2O4S/c23-14-8-9-16(19(11-14)30-18-7-2-1-6-17(18)24)21(29)25-26-20(28)12-31-22(26)13-4-3-5-15(27)10-13/h1-11,22,27H,12H2,(H,25,29)
InChIKeyJBKLGIZFYWMUHI-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide

4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide (PubChem CID 155387969) has the molecular formula C22H16ClFN2O4S and a molecular weight of 458.90 g/mol. Its IUPAC name is 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
PubChem CID155387969
Molecular FormulaC22H16ClFN2O4S
Molecular Weight458.90 g/mol
Exact Mass458.05
IUPAC Name4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
SMILESO=C(NN1C(=O)CSC1c1cccc(O)c1)c1ccc(Cl)cc1Oc1ccccc1F
InChIInChI=1S/C22H16ClFN2O4S/c23-14-8-9-16(19(11-14)30-18-7-2-1-6-17(18)24)21(29)25-26-20(28)12-31-22(26)13-4-3-5-15(27)10-13/h1-11,22,27H,12H2,(H,25,29)
InChIKeyJBKLGIZFYWMUHI-UHFFFAOYSA-N
XLogP4.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide (CID 155387969) is 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide is O=C(NN1C(=O)CSC1c1cccc(O)c1)c1ccc(Cl)cc1Oc1ccccc1F.
What is the InChIKey of 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
The InChIKey is JBKLGIZFYWMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O4S/c23-14-8-9-16(19(11-14)30-18-7-2-1-6-17(18)24)21(29)25-26-20(28)12-31-22(26)13-4-3-5-15(27)10-13/h1-11,22,27H,12H2,(H,25,29).
What are the key properties of 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide?
4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide has a molecular weight of 458.90 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluorophenoxy)-N-[2-(3-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide is sourced from PubChem (CID 155387969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).