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

C12H10ClFN2O3 — CID 79336503

IUPAC3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide
SMILESCC(CN1C(=O)C(=O)c2cc(Cl)c(F)cc21)C(N)=O
InChIInChI=1S/C12H10ClFN2O3/c1-5(11(15)18)4-16-9-3-8(14)7(13)2-6(9)10(17)12(16)19/h2-3,5H,4H2,1H3,(H2,15,18)
InChIKeyKPSATWBPJPVUMU-UHFFFAOYSA-N
MW284.67 g/mol
LogP1.13
Rot. Bonds3

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

3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide (PubChem CID 79336503) has the molecular formula C12H10ClFN2O3 and a molecular weight of 284.67 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide
PubChem CID79336503
Molecular FormulaC12H10ClFN2O3
Molecular Weight284.67 g/mol
Exact Mass284.04
IUPAC Name3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide
SMILESCC(CN1C(=O)C(=O)c2cc(Cl)c(F)cc21)C(N)=O
InChIInChI=1S/C12H10ClFN2O3/c1-5(11(15)18)4-16-9-3-8(14)7(13)2-6(9)10(17)12(16)19/h2-3,5H,4H2,1H3,(H2,15,18)
InChIKeyKPSATWBPJPVUMU-UHFFFAOYSA-N
XLogP1.13
TPSA80.47 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 ≤ 51.13
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-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide (CID 79336503) is 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide is CC(CN1C(=O)C(=O)c2cc(Cl)c(F)cc21)C(N)=O.
What is the InChIKey of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide?
The InChIKey is KPSATWBPJPVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3/c1-5(11(15)18)4-16-9-3-8(14)7(13)2-6(9)10(17)12(16)19/h2-3,5H,4H2,1H3,(H2,15,18).
What are the key properties of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide?
3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide has a molecular weight of 284.67 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 79336503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).