6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione

C22H18Cl2N2O4 — CID 129120406

IUPAC6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESCc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)C)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H18Cl2N2O4/c1-10(2)18(27)17-19(28)20(29)26(16-9-13(24)5-4-11(16)3)22(17)14-7-6-12(23)8-15(14)25-21(22)30/h4-10,28H,1-3H3,(H,25,30)
InChIKeyHUHXFLOSNGNLDZ-UHFFFAOYSA-N
MW445.30 g/mol
LogP4.53
Rot. Bonds3

About 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione

6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione (PubChem CID 129120406) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione
PubChem CID129120406
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC Name6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione
SMILESCc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)C)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C22H18Cl2N2O4/c1-10(2)18(27)17-19(28)20(29)26(16-9-13(24)5-4-11(16)3)22(17)14-7-6-12(23)8-15(14)25-21(22)30/h4-10,28H,1-3H3,(H,25,30)
InChIKeyHUHXFLOSNGNLDZ-UHFFFAOYSA-N
XLogP4.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione (CID 129120406) is 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione is Cc1ccc(Cl)cc1N1C(=O)C(O)=C(C(=O)C(C)C)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
The InChIKey is HUHXFLOSNGNLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4/c1-10(2)18(27)17-19(28)20(29)26(16-9-13(24)5-4-11(16)3)22(17)14-7-6-12(23)8-15(14)25-21(22)30/h4-10,28H,1-3H3,(H,25,30).
What are the key properties of 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione?
6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione has a molecular weight of 445.30 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 129120406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).