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

C22H18Cl2N2O4 — CID 129120405

IUPAC6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H18Cl2N2O4/c1-21(2,3)18(28)16-17(27)19(29)26(13-6-4-5-11(23)9-13)22(16)14-8-7-12(24)10-15(14)25-20(22)30/h4-10,27H,1-3H3,(H,25,30)
InChIKeyGBYWAQWXFUJRNO-UHFFFAOYSA-N
MW445.30 g/mol
LogP4.61
Rot. Bonds2

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

6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 129120405) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
PubChem CID129120405
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H18Cl2N2O4/c1-21(2,3)18(28)16-17(27)19(29)26(13-6-4-5-11(23)9-13)22(16)14-8-7-12(24)10-15(14)25-20(22)30/h4-10,27H,1-3H3,(H,25,30)
InChIKeyGBYWAQWXFUJRNO-UHFFFAOYSA-N
XLogP4.61
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione (CID 129120405) is 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is CC(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-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is GBYWAQWXFUJRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4/c1-21(2,3)18(28)16-17(27)19(29)26(13-6-4-5-11(23)9-13)22(16)14-8-7-12(24)10-15(14)25-20(22)30/h4-10,27H,1-3H3,(H,25,30).
What are the key properties of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 445.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 129120405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).