N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide

C19H19N3O2 — CID 71017214

IUPACN-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CN(c1ccc3c(c1)N(C)CC3)C2=O
InChIInChI=1S/C19H19N3O2/c1-12(23)20-17-5-3-4-15-16(17)11-22(19(15)24)14-7-6-13-8-9-21(2)18(13)10-14/h3-7,10H,8-9,11H2,1-2H3,(H,20,23)
InChIKeyXFKPIUNJUIOWSJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.80
Rot. Bonds2

About N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide

N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 71017214) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide
PubChem CID71017214
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CN(c1ccc3c(c1)N(C)CC3)C2=O
InChIInChI=1S/C19H19N3O2/c1-12(23)20-17-5-3-4-15-16(17)11-22(19(15)24)14-7-6-13-8-9-21(2)18(13)10-14/h3-7,10H,8-9,11H2,1-2H3,(H,20,23)
InChIKeyXFKPIUNJUIOWSJ-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
The IUPAC name of N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide (CID 71017214) is N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
The canonical SMILES for N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1CN(c1ccc3c(c1)N(C)CC3)C2=O.
What is the InChIKey of N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
The InChIKey is XFKPIUNJUIOWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(23)20-17-5-3-4-15-16(17)11-22(19(15)24)14-7-6-13-8-9-21(2)18(13)10-14/h3-7,10H,8-9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide?
N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2,3-dihydroindol-6-yl)-1-oxo-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 71017214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).