N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide

C24H20ClFN2O2S — CID 72722212

IUPACN-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCC(C(=O)NN1C(=O)CSC1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H20ClFN2O2S/c1-15(17-11-12-18(21(26)13-17)16-7-3-2-4-8-16)23(30)27-28-22(29)14-31-24(28)19-9-5-6-10-20(19)25/h2-13,15,24H,14H2,1H3,(H,27,30)
InChIKeyAIYYRUUKCZBUBR-UHFFFAOYSA-N
MW454.95 g/mol
LogP5.55
Rot. Bonds5

About N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide

N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 72722212) has the molecular formula C24H20ClFN2O2S and a molecular weight of 454.95 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID72722212
Molecular FormulaC24H20ClFN2O2S
Molecular Weight454.95 g/mol
Exact Mass454.09
IUPAC NameN-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCC(C(=O)NN1C(=O)CSC1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C24H20ClFN2O2S/c1-15(17-11-12-18(21(26)13-17)16-7-3-2-4-8-16)23(30)27-28-22(29)14-31-24(28)19-9-5-6-10-20(19)25/h2-13,15,24H,14H2,1H3,(H,27,30)
InChIKeyAIYYRUUKCZBUBR-UHFFFAOYSA-N
XLogP5.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide (CID 72722212) is N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide is CC(C(=O)NN1C(=O)CSC1c1ccccc1Cl)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is AIYYRUUKCZBUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN2O2S/c1-15(17-11-12-18(21(26)13-17)16-7-3-2-4-8-16)23(30)27-28-22(29)14-31-24(28)19-9-5-6-10-20(19)25/h2-13,15,24H,14H2,1H3,(H,27,30).
What are the key properties of N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide?
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 454.95 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 72722212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).