6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione

C25H24Cl2N2O5 — CID 129097066

About 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione

6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 129097066) has the molecular formula C25H24Cl2N2O5 and a molecular weight of 503.38 g/mol. Its IUPAC name is 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

• Compound Name: 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
• PubChem CID: 129097066
• Molecular Formula: C25H24Cl2N2O5
• Molecular Weight: 503.38 g/mol
• Exact Mass: 502.11
• IUPAC Name: 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
• SMILES: CC(C)OCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
• InChI: InChI=1S/C25H24Cl2N2O5/c1-13(2)34-12-24(3,4)21(31)19-20(30)22(32)29(16-7-5-6-14(26)10-16)25(19)17-9-8-15(27)11-18(17)28-23(25)33/h5-11,13,30H,12H2,1-4H3,(H,28,33)
• InChIKey: ZPOWOMRLDYWZNJ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?

The IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (CID 129097066) is 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.

What is the SMILES notation for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?

The canonical SMILES for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is CC(C)OCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12.

What is the InChIKey of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?

The InChIKey is ZPOWOMRLDYWZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O5/c1-13(2)34-12-24(3,4)21(31)19-20(30)22(32)29(16-7-5-6-14(26)10-16)25(19)17-9-8-15(27)11-18(17)28-23(25)33/h5-11,13,30H,12H2,1-4H3,(H,28,33).

What are the key properties of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?

6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 503.38 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 129097066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).