1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione

C18H13ClN2O2 — CID 11023806

IUPAC1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1Cc2ccccc2C1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H13ClN2O2/c19-13-5-6-16-14(7-13)15(8-20-16)17(22)18(23)21-9-11-3-1-2-4-12(11)10-21/h1-8,20H,9-10H2
InChIKeyAHRAODKHMRTYIL-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.55
Rot. Bonds2

About 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione

1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione (PubChem CID 11023806) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione
PubChem CID11023806
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1Cc2ccccc2C1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H13ClN2O2/c19-13-5-6-16-14(7-13)15(8-20-16)17(22)18(23)21-9-11-3-1-2-4-12(11)10-21/h1-8,20H,9-10H2
InChIKeyAHRAODKHMRTYIL-UHFFFAOYSA-N
XLogP3.55
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione (CID 11023806) is 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione is O=C(C(=O)N1Cc2ccccc2C1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione?
The InChIKey is AHRAODKHMRTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-13-5-6-16-14(7-13)15(8-20-16)17(22)18(23)21-9-11-3-1-2-4-12(11)10-21/h1-8,20H,9-10H2.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione?
1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione has a molecular weight of 324.77 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)-2-(1,3-dihydroisoindol-2-yl)ethane-1,2-dione is sourced from PubChem (CID 11023806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).