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

C13H12ClFN2O3 — CID 79336282

IUPAC2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H12ClFN2O3/c1-2-3-16-11(18)6-17-10-5-9(15)8(14)4-7(10)12(19)13(17)20/h4-5H,2-3,6H2,1H3,(H,16,18)
InChIKeyDTQBBCLZWLPNQD-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.53
Rot. Bonds4

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

2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide (PubChem CID 79336282) has the molecular formula C13H12ClFN2O3 and a molecular weight of 298.70 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide
PubChem CID79336282
Molecular FormulaC13H12ClFN2O3
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)C(=O)c2cc(Cl)c(F)cc21
InChIInChI=1S/C13H12ClFN2O3/c1-2-3-16-11(18)6-17-10-5-9(15)8(14)4-7(10)12(19)13(17)20/h4-5H,2-3,6H2,1H3,(H,16,18)
InChIKeyDTQBBCLZWLPNQD-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide (CID 79336282) is 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide is CCCNC(=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-propylacetamide?
The InChIKey is DTQBBCLZWLPNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3/c1-2-3-16-11(18)6-17-10-5-9(15)8(14)4-7(10)12(19)13(17)20/h4-5H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide?
2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide 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 2-(5-chloro-6-fluoro-2,3-dioxoindol-1-yl)-N-propylacetamide is sourced from PubChem (CID 79336282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).