2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide

C15H17FN2O3 — CID 61489934

IUPAC2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C15H17FN2O3/c1-3-4-9(2)17-13(19)8-18-12-7-10(16)5-6-11(12)14(20)15(18)21/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyXVFGWLYQMILKOC-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.66
Rot. Bonds5

About 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide

2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide (PubChem CID 61489934) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
PubChem CID61489934
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C15H17FN2O3/c1-3-4-9(2)17-13(19)8-18-12-7-10(16)5-6-11(12)14(20)15(18)21/h5-7,9H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyXVFGWLYQMILKOC-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide 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

2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325538
2-(6-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61357088
2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 60707228
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-2-ylacetamide
CID 3156933
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387539
1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
CID 104751180
2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 2706855
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
5-fluoro-1-(3-methyl-2-oxobutyl)indole-2,3-dione
CID 79395662

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide (CID 61489934) is 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is XVFGWLYQMILKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-4-9(2)17-13(19)8-18-12-7-10(16)5-6-11(12)14(20)15(18)21/h5-7,9H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide?
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 292.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 61489934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).