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

C20H11Cl2FN2O4 — CID 134469702

IUPAC6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCC1OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1F)C2=O
InChIInChI=1S/C20H11Cl2FN2O4/c1-8-16(26)15-17(29-8)18(27)25(14-7-10(22)3-5-12(14)23)20(15)11-4-2-9(21)6-13(11)24-19(20)28/h2-8H,1H3,(H,24,28)
InChIKeyJKTACWSWIHUBJF-UHFFFAOYSA-N
MW433.22 g/mol
LogP3.57
Rot. Bonds1

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

6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (PubChem CID 134469702) has the molecular formula C20H11Cl2FN2O4 and a molecular weight of 433.22 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
PubChem CID134469702
Molecular FormulaC20H11Cl2FN2O4
Molecular Weight433.22 g/mol
Exact Mass432.01
IUPAC Name6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
SMILESCC1OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1F)C2=O
InChIInChI=1S/C20H11Cl2FN2O4/c1-8-16(26)15-17(29-8)18(27)25(14-7-10(22)3-5-12(14)23)20(15)11-4-2-9(21)6-13(11)24-19(20)28/h2-8H,1H3,(H,24,28)
InChIKeyJKTACWSWIHUBJF-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 53.57
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-fluorophenyl)-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-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (CID 134469702) is 6-chloro-5'-(5-chloro-2-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is CC1OC2=C(C1=O)C1(C(=O)Nc3cc(Cl)ccc31)N(c1cc(Cl)ccc1F)C2=O.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The InChIKey is JKTACWSWIHUBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O4/c1-8-16(26)15-17(29-8)18(27)25(14-7-10(22)3-5-12(14)23)20(15)11-4-2-9(21)6-13(11)24-19(20)28/h2-8H,1H3,(H,24,28).
What are the key properties of 6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
6-chloro-5'-(5-chloro-2-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione has a molecular weight of 433.22 g/mol, XLogP of 3.57, 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-fluorophenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is sourced from PubChem (CID 134469702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).