2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

C20H23Cl2N3O2S — CID 146667537

About 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146667537) has the molecular formula C20H23Cl2N3O2S and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146667537
• Molecular Formula: C20H23Cl2N3O2S
• Molecular Weight: 440.40 g/mol
• Exact Mass: 439.09
• IUPAC Name: 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
• SMILES: COCCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1
• InChI: InChI=1S/C20H23Cl2N3O2S/c1-24(7-8-27-2)17-11-14(21)10-15(12-17)23-20(26)18-13-16(4-5-19(18)22)25-6-3-9-28-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26)
• InChIKey: IMPUQQRPRPATTL-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.40
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?

The IUPAC name of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (CID 146667537) is 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

What is the SMILES notation for 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?

The canonical SMILES for 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is COCCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1.

What is the InChIKey of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?

The InChIKey is IMPUQQRPRPATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2S/c1-24(7-8-27-2)17-11-14(21)10-15(12-17)23-20(26)18-13-16(4-5-19(18)22)25-6-3-9-28-25/h4-5,10-13H,3,6-9H2,1-2H3,(H,23,26).

What are the key properties of 2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?

2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 440.40 g/mol, XLogP of 5.19, 7 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-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146667537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).