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

C14H15FN2O4 — CID 61487935

IUPAC2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C14H15FN2O4/c1-8(7-21-2)16-12(18)6-17-11-5-9(15)3-4-10(11)13(19)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyFXRGYRHKRFZQAQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.51
Rot. Bonds5

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

2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 61487935) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID61487935
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)C(=O)c2ccc(F)cc21
InChIInChI=1S/C14H15FN2O4/c1-8(7-21-2)16-12(18)6-17-11-5-9(15)3-4-10(11)13(19)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyFXRGYRHKRFZQAQ-UHFFFAOYSA-N
XLogP0.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-2,3-dioxoindol-1-yl)-N-pentan-2-ylacetamide
CID 61489934
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487892
6-fluoro-1-(2-oxopropyl)indole-2,3-dione
CID 62024263
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325538
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
1-(2-cyclohexyl-2-oxoethyl)-6-fluoroindole-2,3-dione
CID 104751180
2-(6-bromo-2,3-dioxoindol-1-yl)-N-pentan-3-ylacetamide
CID 60707228
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
1-(2-ethoxyethyl)-6-fluoroindole-2,3-dione
CID 43457248
5-fluoro-1-(3-methyl-2-oxobutyl)indole-2,3-dione
CID 79395662
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 60630184

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 61487935) is 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1C(=O)C(=O)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is FXRGYRHKRFZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-8(7-21-2)16-12(18)6-17-11-5-9(15)3-4-10(11)13(19)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 294.28 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 61487935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).