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

C25H24Cl2N2O5 — CID 118578359

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

6'-chloro-1'-(3-chlorophenyl)-4-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3-hydroxyspiro[1H-pyrrole-5,3'-indole]-2,2'-dione (PubChem CID 118578359) 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-pyrrole-5,3'-indole]-2,2'-dione.

Molecular Properties

• Compound Name: 6'-chloro-1'-(3-chlorophenyl)-4-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3-hydroxyspiro[1H-pyrrole-5,3'-indole]-2,2'-dione
• PubChem CID: 118578359
• 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-pyrrole-5,3'-indole]-2,2'-dione
• SMILES: CC(C)OCC(C)(C)C(=O)C1=C(O)C(=O)NC12C(=O)N(c1cccc(Cl)c1)c1cc(Cl)ccc12
• InChI: InChI=1S/C25H24Cl2N2O5/c1-13(2)34-12-24(3,4)21(31)19-20(30)22(32)28-25(19)17-9-8-15(27)11-18(17)29(23(25)33)16-7-5-6-14(26)10-16/h5-11,13,30H,12H2,1-4H3,(H,28,32)
• InChIKey: QPGRFCABSXVOOK-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 95.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.38
LogP ≤ 5	4.83
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-pyrrole-5,3'-indole]-2,2'-dione?

The IUPAC name of 6'-chloro-1'-(3-chlorophenyl)-4-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3-hydroxyspiro[1H-pyrrole-5,3'-indole]-2,2'-dione (CID 118578359) is 6'-chloro-1'-(3-chlorophenyl)-4-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3-hydroxyspiro[1H-pyrrole-5,3'-indole]-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-pyrrole-5,3'-indole]-2,2'-dione?

The canonical SMILES for 6'-chloro-1'-(3-chlorophenyl)-4-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3-hydroxyspiro[1H-pyrrole-5,3'-indole]-2,2'-dione is CC(C)OCC(C)(C)C(=O)C1=C(O)C(=O)NC12C(=O)N(c1cccc(Cl)c1)c1cc(Cl)ccc12.

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

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

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

6'-chloro-1'-(3-chlorophenyl)-4-(2,2-dimethyl-3-propan-2-yloxypropanoyl)-3-hydroxyspiro[1H-pyrrole-5,3'-indole]-2,2'-dione has a molecular weight of 503.38 g/mol, XLogP of 4.83, 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-pyrrole-5,3'-indole]-2,2'-dione is sourced from PubChem (CID 118578359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).