2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

C18H16Cl3FN2OS — CID 146668673

About 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668673) has the molecular formula C18H16Cl3FN2OS and a molecular weight of 433.76 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
• PubChem CID: 146668673
• Molecular Formula: C18H16Cl3FN2OS
• Molecular Weight: 433.76 g/mol
• Exact Mass: 432.00
• IUPAC Name: 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
• SMILES: CC(F)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)cc(Cl)c2Cl)c1
• InChI: InChI=1S/C18H16Cl3FN2OS/c1-10(22)11-5-12(19)7-13(6-11)23-18(25)15-8-14(9-16(20)17(15)21)24-3-2-4-26-24/h5-10H,2-4H2,1H3,(H,23,25)
• InChIKey: FLSHQENBAJYYDW-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.76
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (CID 146668673) is 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

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

The canonical SMILES for 2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is CC(F)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)cc(Cl)c2Cl)c1.

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

The InChIKey is FLSHQENBAJYYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3FN2OS/c1-10(22)11-5-12(19)7-13(6-11)23-18(25)15-8-14(9-16(20)17(15)21)24-3-2-4-26-24/h5-10H,2-4H2,1H3,(H,23,25).

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

2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 433.76 g/mol, XLogP of 6.79, 4 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-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).