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

C20H12Cl2N2O5 — CID 134469763

IUPAC6-chloro-5'-(5-chloro-2-hydroxyphenyl)-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)ccc1O)C2=O
InChIInChI=1S/C20H12Cl2N2O5/c1-8-16(26)15-17(29-8)18(27)24(13-7-10(22)3-5-14(13)25)20(15)11-4-2-9(21)6-12(11)23-19(20)28/h2-8,25H,1H3,(H,23,28)
InChIKeyPKEIRWUPMFAIKL-UHFFFAOYSA-N
MW431.23 g/mol
LogP3.14
Rot. Bonds1

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

6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (PubChem CID 134469763) has the molecular formula C20H12Cl2N2O5 and a molecular weight of 431.23 g/mol. Its IUPAC name is 6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione.

Molecular Properties

Compound Name6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione
PubChem CID134469763
Molecular FormulaC20H12Cl2N2O5
Molecular Weight431.23 g/mol
Exact Mass430.01
IUPAC Name6-chloro-5'-(5-chloro-2-hydroxyphenyl)-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)ccc1O)C2=O
InChIInChI=1S/C20H12Cl2N2O5/c1-8-16(26)15-17(29-8)18(27)24(13-7-10(22)3-5-14(13)25)20(15)11-4-2-9(21)6-12(11)23-19(20)28/h2-8,25H,1H3,(H,23,28)
InChIKeyPKEIRWUPMFAIKL-UHFFFAOYSA-N
XLogP3.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5'-(5-chloro-2-hydroxyphenyl)-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-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione (CID 134469763) is 6-chloro-5'-(5-chloro-2-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxyphenyl)-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)ccc1O)C2=O.
What is the InChIKey of 6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
The InChIKey is PKEIRWUPMFAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O5/c1-8-16(26)15-17(29-8)18(27)24(13-7-10(22)3-5-14(13)25)20(15)11-4-2-9(21)6-12(11)23-19(20)28/h2-8,25H,1H3,(H,23,28).
What are the key properties of 6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione?
6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione has a molecular weight of 431.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5'-(5-chloro-2-hydroxyphenyl)-2'-methylspiro[1H-indole-3,4'-furo[2,3-c]pyrrole]-2,3',6'-trione is sourced from PubChem (CID 134469763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).