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

C21H14Cl2N2O4 — CID 134469693

IUPAC6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCc1ccc(Cl)cc1N1C(=O)C2=C(C(=O)C(C)O2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C21H14Cl2N2O4/c1-9-3-4-12(23)8-15(9)25-19(27)18-16(17(26)10(2)29-18)21(25)13-6-5-11(22)7-14(13)24-20(21)28/h3-8,10H,1-2H3,(H,24,28)
InChIKeyBMLZCOMUXDIWJG-UHFFFAOYSA-N
MW429.26 g/mol
LogP3.74
Rot. Bonds1

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

6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (PubChem CID 134469693) has the molecular formula C21H14Cl2N2O4 and a molecular weight of 429.26 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
PubChem CID134469693
Molecular FormulaC21H14Cl2N2O4
Molecular Weight429.26 g/mol
Exact Mass428.03
IUPAC Name6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCc1ccc(Cl)cc1N1C(=O)C2=C(C(=O)C(C)O2)C12C(=O)Nc1cc(Cl)ccc12
InChIInChI=1S/C21H14Cl2N2O4/c1-9-3-4-12(23)8-15(9)25-19(27)18-16(17(26)10(2)29-18)21(25)13-6-5-11(22)7-14(13)24-20(21)28/h3-8,10H,1-2H3,(H,24,28)
InChIKeyBMLZCOMUXDIWJG-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The IUPAC name of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (CID 134469693) is 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.
What is the SMILES notation for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The canonical SMILES for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is Cc1ccc(Cl)cc1N1C(=O)C2=C(C(=O)C(C)O2)C12C(=O)Nc1cc(Cl)ccc12.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The InChIKey is BMLZCOMUXDIWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O4/c1-9-3-4-12(23)8-15(9)25-19(27)18-16(17(26)10(2)29-18)21(25)13-6-5-11(22)7-14(13)24-20(21)28/h3-8,10H,1-2H3,(H,24,28).
What are the key properties of 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione has a molecular weight of 429.26 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-2-methylphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is sourced from PubChem (CID 134469693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).