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

C19H19Cl3N2O3S — CID 146628114

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

2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146628114) has the molecular formula C19H19Cl3N2O3S and a molecular weight of 461.80 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146628114
• Molecular Formula: C19H19Cl3N2O3S
• Molecular Weight: 461.80 g/mol
• Exact Mass: 460.02
• IUPAC Name: 2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: CCCc1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)c1
• InChI: InChI=1S/C19H19Cl3N2O3S/c1-2-4-12-7-13(20)9-14(8-12)23-19(25)16-10-15(11-17(21)18(16)22)24-5-3-6-28(24,26)27/h7-11H,2-6H2,1H3,(H,23,25)
• InChIKey: VJWJVYKFGNSHCB-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.80
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146628114) is 2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

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

The canonical SMILES for 2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CCCc1cc(Cl)cc(NC(=O)c2cc(N3CCCS3(=O)=O)cc(Cl)c2Cl)c1.

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

The InChIKey is VJWJVYKFGNSHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O3S/c1-2-4-12-7-13(20)9-14(8-12)23-19(25)16-10-15(11-17(21)18(16)22)24-5-3-6-28(24,26)27/h7-11H,2-6H2,1H3,(H,23,25).

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

2,3-dichloro-N-(3-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 461.80 g/mol, XLogP of 5.39, 5 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-chloro-5-propylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146628114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).