3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

C20H20ClFN2O2S — CID 78603108

IUPAC3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC1SC(c2ccccc2Cl)N(CCC(=O)NCc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H20ClFN2O2S/c1-13-19(26)24(20(27-13)16-4-2-3-5-17(16)21)11-10-18(25)23-12-14-6-8-15(22)9-7-14/h2-9,13,20H,10-12H2,1H3,(H,23,25)
InChIKeyNCMULHGUELNMRH-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.15
Rot. Bonds6

About 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 78603108) has the molecular formula C20H20ClFN2O2S and a molecular weight of 406.91 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID78603108
Molecular FormulaC20H20ClFN2O2S
Molecular Weight406.91 g/mol
Exact Mass406.09
IUPAC Name3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC1SC(c2ccccc2Cl)N(CCC(=O)NCc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H20ClFN2O2S/c1-13-19(26)24(20(27-13)16-4-2-3-5-17(16)21)11-10-18(25)23-12-14-6-8-15(22)9-7-14/h2-9,13,20H,10-12H2,1H3,(H,23,25)
InChIKeyNCMULHGUELNMRH-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 78603108) is 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide is CC1SC(c2ccccc2Cl)N(CCC(=O)NCc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is NCMULHGUELNMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2S/c1-13-19(26)24(20(27-13)16-4-2-3-5-17(16)21)11-10-18(25)23-12-14-6-8-15(22)9-7-14/h2-9,13,20H,10-12H2,1H3,(H,23,25).
What are the key properties of 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 406.91 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 78603108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).