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

C12H11FN2O3 — CID 62325538

IUPAC3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C12H11FN2O3/c1-14-10(16)4-5-15-9-6-7(13)2-3-8(9)11(17)12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyDGJPXQAYFLMPHC-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.49
Rot. Bonds3

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

3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide (PubChem CID 62325538) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
PubChem CID62325538
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C12H11FN2O3/c1-14-10(16)4-5-15-9-6-7(13)2-3-8(9)11(17)12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyDGJPXQAYFLMPHC-UHFFFAOYSA-N
XLogP0.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
CID 62325539
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79361539
6-fluoro-1-[2-(propylamino)ethyl]indole-2,3-dione
CID 61387539
1-[3-(ethylamino)propyl]-6-fluoroindole-2,3-dione
CID 61387569
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
CID 61489934
4-(6-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylbutanenitrile
CID 65253611
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487935
6-(6-fluoro-2,3-dioxoindol-1-yl)-2,2-dimethylhexanenitrile
CID 106712908

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide (CID 62325538) is 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide is CNC(=O)CCN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
The InChIKey is DGJPXQAYFLMPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-14-10(16)4-5-15-9-6-7(13)2-3-8(9)11(17)12(15)18/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide?
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide has a molecular weight of 250.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 62325538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).