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

C23H19Cl2NO4 — CID 157300423

IUPAC6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Cc1cc(Cl)ccc12
InChIInChI=1S/C23H19Cl2NO4/c1-22(2,3)20(29)18-19(28)21(30)26(15-6-4-5-13(24)11-15)23(18)16-8-7-14(25)9-12(16)10-17(23)27/h4-9,11,28H,10H2,1-3H3
InChIKeyBBVKMLDCCQAFPT-UHFFFAOYSA-N
MW444.31 g/mol
LogP4.79
Rot. Bonds2

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

6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione (PubChem CID 157300423) has the molecular formula C23H19Cl2NO4 and a molecular weight of 444.31 g/mol. Its IUPAC name is 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione.

Molecular Properties

Compound Name6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione
PubChem CID157300423
Molecular FormulaC23H19Cl2NO4
Molecular Weight444.31 g/mol
Exact Mass443.07
IUPAC Name6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione
SMILESCC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Cc1cc(Cl)ccc12
InChIInChI=1S/C23H19Cl2NO4/c1-22(2,3)20(29)18-19(28)21(30)26(15-6-4-5-13(24)11-15)23(18)16-8-7-14(25)9-12(16)10-17(23)27/h4-9,11,28H,10H2,1-3H3
InChIKeyBBVKMLDCCQAFPT-UHFFFAOYSA-N
XLogP4.79
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.31
LogP ≤ 54.79
H-Bond Donors ≤ 51
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-indene-3,5'-pyrrole]-2,2'-dione?
The IUPAC name of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione (CID 157300423) is 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione.
What is the SMILES notation for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione?
The canonical SMILES for 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione is CC(C)(C)C(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C12C(=O)Cc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione?
The InChIKey is BBVKMLDCCQAFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO4/c1-22(2,3)20(29)18-19(28)21(30)26(15-6-4-5-13(24)11-15)23(18)16-8-7-14(25)9-12(16)10-17(23)27/h4-9,11,28H,10H2,1-3H3.
What are the key properties of 6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione?
6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indene-3,5'-pyrrole]-2,2'-dione has a molecular weight of 444.31 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 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-indene-3,5'-pyrrole]-2,2'-dione is sourced from PubChem (CID 157300423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).