5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione

C19H12Cl2N2O3 — CID 7880189

IUPAC5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C19H12Cl2N2O3/c1-9-17(10-4-2-3-5-15(10)22-9)16(24)8-23-18(25)11-6-13(20)14(21)7-12(11)19(23)26/h2-7,22H,8H2,1H3
InChIKeyUGAPPXHTOLKKCB-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.26
Rot. Bonds3

About 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione

5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 7880189) has the molecular formula C19H12Cl2N2O3 and a molecular weight of 387.22 g/mol. Its IUPAC name is 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID7880189
Molecular FormulaC19H12Cl2N2O3
Molecular Weight387.22 g/mol
Exact Mass386.02
IUPAC Name5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C19H12Cl2N2O3/c1-9-17(10-4-2-3-5-15(10)22-9)16(24)8-23-18(25)11-6-13(20)14(21)7-12(11)19(23)26/h2-7,22H,8H2,1H3
InChIKeyUGAPPXHTOLKKCB-UHFFFAOYSA-N
XLogP4.26
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione (CID 7880189) is 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione is Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is UGAPPXHTOLKKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3/c1-9-17(10-4-2-3-5-15(10)22-9)16(24)8-23-18(25)11-6-13(20)14(21)7-12(11)19(23)26/h2-7,22H,8H2,1H3.
What are the key properties of 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 387.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 7880189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).