N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide

C19H17N3O2 — CID 59543319

IUPACN-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(c1ccc3c(ccn3C)c1)C2=O
InChIInChI=1S/C19H17N3O2/c1-12(23)20-15-3-5-17-14(9-15)11-22(19(17)24)16-4-6-18-13(10-16)7-8-21(18)2/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyNREZSEMSHVRVGD-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.30
Rot. Bonds2

About N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide

N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide (PubChem CID 59543319) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide
PubChem CID59543319
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(c1ccc3c(ccn3C)c1)C2=O
InChIInChI=1S/C19H17N3O2/c1-12(23)20-15-3-5-17-14(9-15)11-22(19(17)24)16-4-6-18-13(10-16)7-8-21(18)2/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyNREZSEMSHVRVGD-UHFFFAOYSA-N
XLogP3.30
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
The IUPAC name of N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide (CID 59543319) is N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide.
What is the SMILES notation for N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
The canonical SMILES for N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)CN(c1ccc3c(ccn3C)c1)C2=O.
What is the InChIKey of N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
The InChIKey is NREZSEMSHVRVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12(23)20-15-3-5-17-14(9-15)11-22(19(17)24)16-4-6-18-13(10-16)7-8-21(18)2/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide?
N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide is sourced from PubChem (CID 59543319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).