2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide

C23H18ClFN2O3S — CID 177371773

IUPAC2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C23H18ClFN2O3S/c24-16-3-1-15(2-4-16)23-27(22(29)14-31-23)19-9-11-20(12-10-19)30-13-21(28)26-18-7-5-17(25)6-8-18/h1-12,23H,13-14H2,(H,26,28)
InChIKeyXTFZRTPORCLXTF-UHFFFAOYSA-N
MW456.93 g/mol
LogP5.28
Rot. Bonds6

About 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 177371773) has the molecular formula C23H18ClFN2O3S and a molecular weight of 456.93 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID177371773
Molecular FormulaC23H18ClFN2O3S
Molecular Weight456.93 g/mol
Exact Mass456.07
IUPAC Name2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C23H18ClFN2O3S/c24-16-3-1-15(2-4-16)23-27(22(29)14-31-23)19-9-11-20(12-10-19)30-13-21(28)26-18-7-5-17(25)6-8-18/h1-12,23H,13-14H2,(H,26,28)
InChIKeyXTFZRTPORCLXTF-UHFFFAOYSA-N
XLogP5.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.93
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 177371773) is 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is XTFZRTPORCLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3S/c24-16-3-1-15(2-4-16)23-27(22(29)14-31-23)19-9-11-20(12-10-19)30-13-21(28)26-18-7-5-17(25)6-8-18/h1-12,23H,13-14H2,(H,26,28).
What are the key properties of 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 456.93 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 177371773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).