2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H18Cl2N2O5S — CID 146667471

About 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667471) has the molecular formula C19H18Cl2N2O5S and a molecular weight of 457.34 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146667471
• Molecular Formula: C19H18Cl2N2O5S
• Molecular Weight: 457.34 g/mol
• Exact Mass: 456.03
• IUPAC Name: 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
• SMILES: O=C(Nc1cc(Cl)cc(OC2COC2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl
• InChI: InChI=1S/C19H18Cl2N2O5S/c20-12-6-13(8-15(7-12)28-16-10-27-11-16)22-19(24)17-9-14(2-3-18(17)21)23-4-1-5-29(23,25)26/h2-3,6-9,16H,1,4-5,10-11H2,(H,22,24)
• InChIKey: GHUSSVXATXUKMK-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.34
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146667471) is 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(OC2COC2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl.

What is the InChIKey of 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

The InChIKey is GHUSSVXATXUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O5S/c20-12-6-13(8-15(7-12)28-16-10-27-11-16)22-19(24)17-9-14(2-3-18(17)21)23-4-1-5-29(23,25)26/h2-3,6-9,16H,1,4-5,10-11H2,(H,22,24).

What are the key properties of 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?

2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 457.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).