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

C12H10ClFN2O3 — CID 79336143

IUPAC2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C12H10ClFN2O3/c1-2-15-10(17)5-16-9-4-8(14)7(13)3-6(9)11(18)12(16)19/h3-4H,2,5H2,1H3,(H,15,17)
InChIKeyNURUHLVMFOBNEK-UHFFFAOYSA-N
MW284.67 g/mol
LogP1.14
Rot. Bonds3

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

2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide (PubChem CID 79336143) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide
PubChem CID79336143
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Name2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C12H10ClFN2O3/c1-2-15-10(17)5-16-9-4-8(14)7(13)3-6(9)11(18)12(16)19/h3-4H,2,5H2,1H3,(H,15,17)
InChIKeyNURUHLVMFOBNEK-UHFFFAOYSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 51.14
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-ethylacetamide?
The IUPAC name of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide (CID 79336143) is 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is NURUHLVMFOBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-2-15-10(17)5-16-9-4-8(14)7(13)3-6(9)11(18)12(16)19/h3-4H,2,5H2,1H3,(H,15,17).
What are the key properties of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide?
2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylacetamide has a molecular weight of 284.67 g/mol, XLogP of 1.14, 3 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-ethylacetamide is sourced from PubChem (CID 79336143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).