2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide

C12H13ClN2O3 — CID 90968419

IUPAC2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)N1C(=O)Cc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2O3/c1-12(18-2,11(14)17)15-9-4-3-8(13)5-7(9)6-10(15)16/h3-5H,6H2,1-2H3,(H2,14,17)
InChIKeyUSSPDOYQKZZPJH-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.08
Rot. Bonds3

About 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide

2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide (PubChem CID 90968419) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide
PubChem CID90968419
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide
SMILESCOC(C)(C(N)=O)N1C(=O)Cc2cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2O3/c1-12(18-2,11(14)17)15-9-4-3-8(13)5-7(9)6-10(15)16/h3-5H,6H2,1-2H3,(H2,14,17)
InChIKeyUSSPDOYQKZZPJH-UHFFFAOYSA-N
XLogP1.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide?
The IUPAC name of 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide (CID 90968419) is 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide.
What is the SMILES notation for 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide?
The canonical SMILES for 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide is COC(C)(C(N)=O)N1C(=O)Cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide?
The InChIKey is USSPDOYQKZZPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-12(18-2,11(14)17)15-9-4-3-8(13)5-7(9)6-10(15)16/h3-5H,6H2,1-2H3,(H2,14,17).
What are the key properties of 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide?
2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide has a molecular weight of 268.70 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-oxo-3H-indol-1-yl)-2-methoxypropanamide is sourced from PubChem (CID 90968419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).