2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide

C13H12F2N2O4 — CID 83206441

IUPAC2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C13H12F2N2O4/c1-21-5-4-16-9(18)6-17-11-8(15)3-2-7(14)10(11)12(19)13(17)20/h2-3H,4-6H2,1H3,(H,16,18)
InChIKeyMPVQSQHEOGRWPH-UHFFFAOYSA-N
MW298.25 g/mol
LogP0.26
Rot. Bonds5

About 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide

2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 83206441) has the molecular formula C13H12F2N2O4 and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID83206441
Molecular FormulaC13H12F2N2O4
Molecular Weight298.25 g/mol
Exact Mass298.08
IUPAC Name2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C13H12F2N2O4/c1-21-5-4-16-9(18)6-17-11-8(15)3-2-7(14)10(11)12(19)13(17)20/h2-3H,4-6H2,1H3,(H,16,18)
InChIKeyMPVQSQHEOGRWPH-UHFFFAOYSA-N
XLogP0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,7-difluoro-1-(2-methoxyethyl)indole-2,3-dione
CID 83215069
N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide
CID 83215945
3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 83215709
N-butyl-2-(4,7-dimethyl-2,3-dioxoindol-1-yl)acetamide
CID 61485569
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
2-(2,5-dioxopyrrol-1-yl)-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 145373161
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7801352
2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272
N-(2-methoxyethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574488
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375273
N-butyl-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201607

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide (CID 83206441) is 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1C(=O)C(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is MPVQSQHEOGRWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O4/c1-21-5-4-16-9(18)6-17-11-8(15)3-2-7(14)10(11)12(19)13(17)20/h2-3H,4-6H2,1H3,(H,16,18).
What are the key properties of 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 298.25 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 83206441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).