4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one

C18H19ClN2O2 — CID 10544453

IUPAC4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one
SMILESCN(CCOc1ccc(Cl)c2c1CC(=O)N2)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-21(12-13-5-3-2-4-6-13)9-10-23-16-8-7-15(19)18-14(16)11-17(22)20-18/h2-8H,9-12H2,1H3,(H,20,22)
InChIKeyKNYXWJRBLXUOLM-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.35
Rot. Bonds6

About 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one

4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one (PubChem CID 10544453) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one
PubChem CID10544453
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one
SMILESCN(CCOc1ccc(Cl)c2c1CC(=O)N2)Cc1ccccc1
InChIInChI=1S/C18H19ClN2O2/c1-21(12-13-5-3-2-4-6-13)9-10-23-16-8-7-15(19)18-14(16)11-17(22)20-18/h2-8H,9-12H2,1H3,(H,20,22)
InChIKeyKNYXWJRBLXUOLM-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one (CID 10544453) is 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one is CN(CCOc1ccc(Cl)c2c1CC(=O)N2)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is KNYXWJRBLXUOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-21(12-13-5-3-2-4-6-13)9-10-23-16-8-7-15(19)18-14(16)11-17(22)20-18/h2-8H,9-12H2,1H3,(H,20,22).
What are the key properties of 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one?
4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 330.81 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(methyl)amino]ethoxy]-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10544453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).