4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C19H19ClN2O4S — CID 46307015

About 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 46307015) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 46307015
• Molecular Formula: C19H19ClN2O4S
• Molecular Weight: 406.89 g/mol
• Exact Mass: 406.08
• IUPAC Name: 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)cc1C
• InChI: InChI=1S/C19H19ClN2O4S/c1-11-4-6-15(8-12(11)2)21-18(23)14-5-7-16(20)17(9-14)22-19(24)13(3)10-27(22,25)26/h4-9,13H,10H2,1-3H3,(H,21,23)
• InChIKey: YBMZHKNGQZRJKI-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.89
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 46307015) is 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C(C)CS3(=O)=O)c2)cc1C.

What is the InChIKey of 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is YBMZHKNGQZRJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-11-4-6-15(8-12(11)2)21-18(23)14-5-7-16(20)17(9-14)22-19(24)13(3)10-27(22,25)26/h4-9,13H,10H2,1-3H3,(H,21,23).

What are the key properties of 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?

4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 406.89 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(3,4-dimethylphenyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 46307015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).