6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione

C21H14Cl2N2O4 — CID 129120407

IUPAC6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCC1(C)OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C21H14Cl2N2O4/c1-20(2)17(26)15-16(29-20)18(27)25(12-5-3-4-10(22)8-12)21(15)13-7-6-11(23)9-14(13)24-19(21)28/h3-9H,1-2H3,(H,24,28)
InChIKeyHEFNGHWIRFITRT-UHFFFAOYSA-N
MW429.26 g/mol
LogP3.82
Rot. Bonds1

About 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione

6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (PubChem CID 129120407) has the molecular formula C21H14Cl2N2O4 and a molecular weight of 429.26 g/mol. Its IUPAC name is 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.

Molecular Properties

Compound Name6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
PubChem CID129120407
Molecular FormulaC21H14Cl2N2O4
Molecular Weight429.26 g/mol
Exact Mass428.03
IUPAC Name6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCC1(C)OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C21H14Cl2N2O4/c1-20(2)17(26)15-16(29-20)18(27)25(12-5-3-4-10(22)8-12)21(15)13-7-6-11(23)9-14(13)24-19(21)28/h3-9H,1-2H3,(H,24,28)
InChIKeyHEFNGHWIRFITRT-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 134469702
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
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
6-chloro-1'-(3-chlorophenyl)-4'-(2,2-dimethylpropanoyl)-3'-hydroxyspiro[1H-indole-3,5'-pyrrole]-2,2'-dione
CID 129120405
6-chloro-1'-(5-chloro-2-methylphenyl)-3'-hydroxy-4'-(2-methylpropanoyl)spiro[1H-indole-3,5'-pyrrole]-2,2'-dione
CID 129120406
6-chloro-5'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 134469672
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 134469693
6-chloro-5'-(5-chloro-2-methoxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 134469729
6-chloro-5'-(3-chlorophenyl)-2'-methyl-2'-(propan-2-yloxymethyl)spiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 134469751
6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
CID 134469763

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The IUPAC name of 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (CID 129120407) is 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.
What is the SMILES notation for 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The canonical SMILES for 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is CC1(C)OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The InChIKey is HEFNGHWIRFITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O4/c1-20(2)17(26)15-16(29-20)18(27)25(12-5-3-4-10(22)8-12)21(15)13-7-6-11(23)9-14(13)24-19(21)28/h3-9H,1-2H3,(H,24,28).
What are the key properties of 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione has a molecular weight of 429.26 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(3-chlorophenyl)-2',2'-dimethylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is sourced from PubChem (CID 129120407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).