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

C13H12ClFN2O3 — CID 79336153

IUPAC3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H12ClFN2O3/c1-2-16-11(18)3-4-17-10-6-9(15)8(14)5-7(10)12(19)13(17)20/h5-6H,2-4H2,1H3,(H,16,18)
InChIKeyQXRFDWAPKUIFAY-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.53
Rot. Bonds4

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

3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide (PubChem CID 79336153) has the molecular formula C13H12ClFN2O3 and a molecular weight of 298.70 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
PubChem CID79336153
Molecular FormulaC13H12ClFN2O3
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H12ClFN2O3/c1-2-16-11(18)3-4-17-10-6-9(15)8(14)5-7(10)12(19)13(17)20/h5-6H,2-4H2,1H3,(H,16,18)
InChIKeyQXRFDWAPKUIFAY-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide 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 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide (CID 79336153) is 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)C(=O)c2cc(Cl)c(F)cc21.
What is the InChIKey of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The InChIKey is QXRFDWAPKUIFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3/c1-2-16-11(18)3-4-17-10-6-9(15)8(14)5-7(10)12(19)13(17)20/h5-6H,2-4H2,1H3,(H,16,18).
What are the key properties of 3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
3-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide has a molecular weight of 298.70 g/mol, XLogP of 1.53, 4 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)-N-ethylpropanamide is sourced from PubChem (CID 79336153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).