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

C18H12Cl2N2O2 — CID 45271900

IUPAC1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCc2cc(Cl)ccc21)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H12Cl2N2O2/c19-11-2-4-16-10(7-11)5-6-22(16)18(24)17(23)14-9-21-15-3-1-12(20)8-13(14)15/h1-4,7-9,21H,5-6H2
InChIKeyCJHHELAEUASCSK-UHFFFAOYSA-N
MW359.21 g/mol
LogP4.25
Rot. Bonds2

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

1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 45271900) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
PubChem CID45271900
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCc2cc(Cl)ccc21)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H12Cl2N2O2/c19-11-2-4-16-10(7-11)5-6-22(16)18(24)17(23)14-9-21-15-3-1-12(20)8-13(14)15/h1-4,7-9,21H,5-6H2
InChIKeyCJHHELAEUASCSK-UHFFFAOYSA-N
XLogP4.25
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 54.25
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-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione (CID 45271900) is 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCc2cc(Cl)ccc21)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is CJHHELAEUASCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-11-2-4-16-10(7-11)5-6-22(16)18(24)17(23)14-9-21-15-3-1-12(20)8-13(14)15/h1-4,7-9,21H,5-6H2.
What are the key properties of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione?
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 359.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(5-chloro-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 45271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).