6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

C32H25Cl2IN2O5 — CID 74931482

About 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (PubChem CID 74931482) has the molecular formula C32H25Cl2IN2O5 and a molecular weight of 715.37 g/mol. Its IUPAC name is 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

Molecular Properties

• Compound Name: 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• PubChem CID: 74931482
• Molecular Formula: C32H25Cl2IN2O5
• Molecular Weight: 715.37 g/mol
• Exact Mass: 714.02
• IUPAC Name: 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
• SMILES: O=C1CC(c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(I)ccc2Oc2ccc(OCCO)cc2)N1
• InChI: InChI=1S/C32H25Cl2IN2O5/c33-19-3-1-2-18(14-19)26-17-29(39)37-30(32(26)25-10-4-20(34)15-27(25)36-31(32)40)24-16-21(35)5-11-28(24)42-23-8-6-22(7-9-23)41-13-12-38/h1-11,14-16,26,30,38H,12-13,17H2,(H,36,40)(H,37,39)
• InChIKey: QZQHYYXEBNMGJJ-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 96.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.37
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The IUPAC name of 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione (CID 74931482) is 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione.

What is the SMILES notation for 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The canonical SMILES for 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is O=C1CC(c2cccc(Cl)c2)C2(C(=O)Nc3cc(Cl)ccc32)C(c2cc(I)ccc2Oc2ccc(OCCO)cc2)N1.

What is the InChIKey of 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

The InChIKey is QZQHYYXEBNMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25Cl2IN2O5/c33-19-3-1-2-18(14-19)26-17-29(39)37-30(32(26)25-10-4-20(34)15-27(25)36-31(32)40)24-16-21(35)5-11-28(24)42-23-8-6-22(7-9-23)41-13-12-38/h1-11,14-16,26,30,38H,12-13,17H2,(H,36,40)(H,37,39).

What are the key properties of 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione?

6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione has a molecular weight of 715.37 g/mol, XLogP of 7.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4'-(3-chlorophenyl)-6'-[2-[4-(2-hydroxyethoxy)phenoxy]-5-iodophenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione is sourced from PubChem (CID 74931482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).