2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C18H16ClFN2O4S — CID 20997031

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

2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20997031) has the molecular formula C18H16ClFN2O4S and a molecular weight of 410.85 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 20997031
• Molecular Formula: C18H16ClFN2O4S
• Molecular Weight: 410.85 g/mol
• Exact Mass: 410.05
• IUPAC Name: 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: CC1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3F)c(Cl)c2)C1=O
• InChI: InChI=1S/C18H16ClFN2O4S/c1-11-10-27(25,26)22(18(11)24)13-6-7-14(15(19)8-13)17(23)21-9-12-4-2-3-5-16(12)20/h2-8,11H,9-10H2,1H3,(H,21,23)
• InChIKey: PCGYCVBYYDTIIP-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.85
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20997031) is 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

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

The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccccc3F)c(Cl)c2)C1=O.

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

The InChIKey is PCGYCVBYYDTIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4S/c1-11-10-27(25,26)22(18(11)24)13-6-7-14(15(19)8-13)17(23)21-9-12-4-2-3-5-16(12)20/h2-8,11H,9-10H2,1H3,(H,21,23).

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

2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 410.85 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(2-fluorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20997031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).