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

C15H13FN2O3 — CID 80728311

IUPAC5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione
SMILESCc1ccc(CN(C)c2cc3c(cc2F)C(=O)C(=O)N3)o1
InChIInChI=1S/C15H13FN2O3/c1-8-3-4-9(21-8)7-18(2)13-6-12-10(5-11(13)16)14(19)15(20)17-12/h3-6H,7H2,1-2H3,(H,17,19,20)
InChIKeyYJTRJNSXORTUNF-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.50
Rot. Bonds3

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

5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione (PubChem CID 80728311) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione
PubChem CID80728311
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione
SMILESCc1ccc(CN(C)c2cc3c(cc2F)C(=O)C(=O)N3)o1
InChIInChI=1S/C15H13FN2O3/c1-8-3-4-9(21-8)7-18(2)13-6-12-10(5-11(13)16)14(19)15(20)17-12/h3-6H,7H2,1-2H3,(H,17,19,20)
InChIKeyYJTRJNSXORTUNF-UHFFFAOYSA-N
XLogP2.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione?
The IUPAC name of 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione (CID 80728311) is 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione.
What is the SMILES notation for 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione?
The canonical SMILES for 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione is Cc1ccc(CN(C)c2cc3c(cc2F)C(=O)C(=O)N3)o1.
What is the InChIKey of 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione?
The InChIKey is YJTRJNSXORTUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-8-3-4-9(21-8)7-18(2)13-6-12-10(5-11(13)16)14(19)15(20)17-12/h3-6H,7H2,1-2H3,(H,17,19,20).
What are the key properties of 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione?
5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione has a molecular weight of 288.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione is sourced from PubChem (CID 80728311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).