2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C18H18Cl2N2O3S — CID 146628312

About 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146628312) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146628312
• Molecular Formula: C18H18Cl2N2O3S
• Molecular Weight: 413.33 g/mol
• Exact Mass: 412.04
• IUPAC Name: 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: Cc1cc(C)cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)c1
• InChI: InChI=1S/C18H18Cl2N2O3S/c1-11-6-12(2)8-13(7-11)21-18(23)15-9-14(10-16(19)17(15)20)22-4-3-5-26(22,24)25/h6-10H,3-5H2,1-2H3,(H,21,23)
• InChIKey: XDMBYNIBOLPPGS-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.33
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146628312) is 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is Cc1cc(C)cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)c1.

What is the InChIKey of 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is XDMBYNIBOLPPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-11-6-12(2)8-13(7-11)21-18(23)15-9-14(10-16(19)17(15)20)22-4-3-5-26(22,24)25/h6-10H,3-5H2,1-2H3,(H,21,23).

What are the key properties of 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 413.33 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-(3,5-dimethylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146628312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).