6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione

C13H15FN2O3 — CID 81055874

IUPAC6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCCOCCN(C)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C13H15FN2O3/c1-3-19-5-4-16(2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyBYOSNZJCPLJQLP-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.43
Rot. Bonds5

About 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione

6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione (PubChem CID 81055874) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
PubChem CID81055874
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCCOCCN(C)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C13H15FN2O3/c1-3-19-5-4-16(2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyBYOSNZJCPLJQLP-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione (CID 81055874) is 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione is CCOCCN(C)c1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is BYOSNZJCPLJQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-3-19-5-4-16(2)11-7-10-8(6-9(11)14)12(17)13(18)15-10/h6-7H,3-5H2,1-2H3,(H,15,17,18).
What are the key properties of 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione?
6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 266.27 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 81055874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).