N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

C18H19ClFN3O3S — CID 20921409

About N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (PubChem CID 20921409) has the molecular formula C18H19ClFN3O3S and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
• PubChem CID: 20921409
• Molecular Formula: C18H19ClFN3O3S
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.08
• IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide
• SMILES: Cc1ccccc1CN1CCN(CC(=O)Nc2ccc(Cl)cc2F)S1(=O)=O
• InChI: InChI=1S/C18H19ClFN3O3S/c1-13-4-2-3-5-14(13)11-22-8-9-23(27(22,25)26)12-18(24)21-17-7-6-15(19)10-16(17)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,24)
• InChIKey: HRZZJUFKTFQYIB-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?

The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide (CID 20921409) is N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide.

What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?

The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is Cc1ccccc1CN1CCN(CC(=O)Nc2ccc(Cl)cc2F)S1(=O)=O.

What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?

The InChIKey is HRZZJUFKTFQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3S/c1-13-4-2-3-5-14(13)11-22-8-9-23(27(22,25)26)12-18(24)21-17-7-6-15(19)10-16(17)20/h2-7,10H,8-9,11-12H2,1H3,(H,21,24).

What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide?

N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-fluorophenyl)-2-[5-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]acetamide is sourced from PubChem (CID 20921409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).