1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione

C14H16F2N2O2 — CID 80759179

IUPAC1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H16F2N2O2/c1-3-17(4-2)5-6-18-12-8-11(16)10(15)7-9(12)13(19)14(18)20/h7-8H,3-6H2,1-2H3
InChIKeyMLTGSTAIFUAIKP-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione

1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione (PubChem CID 80759179) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione
PubChem CID80759179
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H16F2N2O2/c1-3-17(4-2)5-6-18-12-8-11(16)10(15)7-9(12)13(19)14(18)20/h7-8H,3-6H2,1-2H3
InChIKeyMLTGSTAIFUAIKP-UHFFFAOYSA-N
XLogP1.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-1-[3-(methylamino)propyl]indole-2,3-dione
CID 80759196
1-[2-(diethylamino)ethyl]-5-pyridin-4-ylindole-2,3-dione
CID 13037194
1-[(5-ethylthiophen-2-yl)methyl]-5,6-difluoroindole-2,3-dione
CID 80747613
5,6-difluoro-1-[2-(2-methylpropoxy)ethyl]indole-2,3-dione
CID 106453675
5,6-difluoro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
CID 80758387
5,6-difluoro-1-(3-pyrrolidin-1-ylpropyl)indole-2,3-dione
CID 80747330
ethyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80746979
1-[2-(cyclopropylamino)ethyl]-5,6-difluoroindole-2,3-dione
CID 80758317
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354
5-bromo-6-fluoro-1-(2-propoxyethyl)indole-2,3-dione
CID 106453668
5-chloro-1-(3,3-dimethylbutyl)-6-fluoroindole-2,3-dione
CID 79336562
4-chloro-1-[2-(diethylamino)ethyl]indole-2,3-dione
CID 61357369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione (CID 80759179) is 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione is CCN(CC)CCN1C(=O)C(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione?
The InChIKey is MLTGSTAIFUAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-17(4-2)5-6-18-12-8-11(16)10(15)7-9(12)13(19)14(18)20/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione?
1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione has a molecular weight of 282.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5,6-difluoroindole-2,3-dione is sourced from PubChem (CID 80759179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).