3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide

C12H11ClN2O3 — CID 62325353

IUPAC3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C12H11ClN2O3/c1-14-10(16)4-5-15-9-3-2-7(13)6-8(9)11(17)12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyNMLZOGGNKFGXCA-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.01
Rot. Bonds3

About 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide

3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide (PubChem CID 62325353) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
PubChem CID62325353
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C12H11ClN2O3/c1-14-10(16)4-5-15-9-3-2-7(13)6-8(9)11(17)12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyNMLZOGGNKFGXCA-UHFFFAOYSA-N
XLogP1.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide (CID 62325353) is 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide is CNC(=O)CCN1C(=O)C(=O)c2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
The InChIKey is NMLZOGGNKFGXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-14-10(16)4-5-15-9-3-2-7(13)6-8(9)11(17)12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide has a molecular weight of 266.68 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 62325353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).