6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione

C15H19FN2O3 — CID 80728541

IUPAC6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCCC(C)N(CCOC)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C15H19FN2O3/c1-4-9(2)18(5-6-21-3)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyGMURJKKPBLIBNL-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.21
Rot. Bonds6

About 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione

6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione (PubChem CID 80728541) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione
PubChem CID80728541
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCCC(C)N(CCOC)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C15H19FN2O3/c1-4-9(2)18(5-6-21-3)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9H,4-6H2,1-3H3,(H,17,19,20)
InChIKeyGMURJKKPBLIBNL-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione (CID 80728541) is 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione is CCC(C)N(CCOC)c1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is GMURJKKPBLIBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-4-9(2)18(5-6-21-3)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9H,4-6H2,1-3H3,(H,17,19,20).
What are the key properties of 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione?
6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 294.33 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butan-2-yl(2-methoxyethyl)amino]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80728541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).