2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide

C11H8ClFN2O3 — CID 79336083

IUPAC2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C11H8ClFN2O3/c1-14-9(16)4-15-8-3-7(13)6(12)2-5(8)10(17)11(15)18/h2-3H,4H2,1H3,(H,14,16)
InChIKeyYFLYBSIUIJJJNR-UHFFFAOYSA-N
MW270.65 g/mol
LogP0.75
Rot. Bonds2

About 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide

2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide (PubChem CID 79336083) has the molecular formula C11H8ClFN2O3 and a molecular weight of 270.65 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide
PubChem CID79336083
Molecular FormulaC11H8ClFN2O3
Molecular Weight270.65 g/mol
Exact Mass270.02
IUPAC Name2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C11H8ClFN2O3/c1-14-9(16)4-15-8-3-7(13)6(12)2-5(8)10(17)11(15)18/h2-3H,4H2,1H3,(H,14,16)
InChIKeyYFLYBSIUIJJJNR-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.65
LogP ≤ 50.75
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 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide (CID 79336083) is 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide is CNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21.
What is the InChIKey of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide?
The InChIKey is YFLYBSIUIJJJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3/c1-14-9(16)4-15-8-3-7(13)6(12)2-5(8)10(17)11(15)18/h2-3H,4H2,1H3,(H,14,16).
What are the key properties of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide?
2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide has a molecular weight of 270.65 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 79336083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).