2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione

C19H15ClN2O2 — CID 739306

IUPAC2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN2O2/c20-13-7-8-17-16(10-13)12(11-21-17)4-3-9-22-18(23)14-5-1-2-6-15(14)19(22)24/h1-2,5-8,10-11,21H,3-4,9H2
InChIKeyPSUOLGHURRKIST-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.05
Rot. Bonds4

About 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione

2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione (PubChem CID 739306) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione
PubChem CID739306
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN2O2/c20-13-7-8-17-16(10-13)12(11-21-17)4-3-9-22-18(23)14-5-1-2-6-15(14)19(22)24/h1-2,5-8,10-11,21H,3-4,9H2
InChIKeyPSUOLGHURRKIST-UHFFFAOYSA-N
XLogP4.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione (CID 739306) is 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione?
The InChIKey is PSUOLGHURRKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-13-7-8-17-16(10-13)12(11-21-17)4-3-9-22-18(23)14-5-1-2-6-15(14)19(22)24/h1-2,5-8,10-11,21H,3-4,9H2.
What are the key properties of 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione?
2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione has a molecular weight of 338.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-1H-indol-3-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 739306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).