7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one

C18H17ClN2O2 — CID 10853769

IUPAC7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(Cl)c2N1
InChIInChI=1S/C18H17ClN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22)
InChIKeyNTOGEDXEDRMFKP-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.23
Rot. Bonds4

About 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one

7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10853769) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one
PubChem CID10853769
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(Cl)c2N1
InChIInChI=1S/C18H17ClN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22)
InChIKeyNTOGEDXEDRMFKP-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one (CID 10853769) is 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(Cl)c2N1.
What is the InChIKey of 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is NTOGEDXEDRMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22).
What are the key properties of 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 328.80 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10853769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).