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

C13H10F2N2O3 — CID 83215945

IUPACN-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2c(F)ccc(F)c21)NC1CC1
InChIInChI=1S/C13H10F2N2O3/c14-7-3-4-8(15)11-10(7)12(19)13(20)17(11)5-9(18)16-6-1-2-6/h3-4,6H,1-2,5H2,(H,16,18)
InChIKeyYILIYQAJWHYJAT-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.77
Rot. Bonds3

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

N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide (PubChem CID 83215945) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide
PubChem CID83215945
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC NameN-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2c(F)ccc(F)c21)NC1CC1
InChIInChI=1S/C13H10F2N2O3/c14-7-3-4-8(15)11-10(7)12(19)13(20)17(11)5-9(18)16-6-1-2-6/h3-4,6H,1-2,5H2,(H,16,18)
InChIKeyYILIYQAJWHYJAT-UHFFFAOYSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.77
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

1-[2-(cyclopropylamino)ethyl]-4,7-difluoroindole-2,3-dione
CID 83215633
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide
CID 61357107
N-cyclopropyl-3-(4,7-dimethyl-2,3-dioxoindol-1-yl)propanamide
CID 62628305
3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 83215709
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,7-difluoroindole-2,3-dione
CID 83206691
4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229704
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
N-cyclopropyl-2-(2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 43568545
N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202679
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
4,7-difluoro-1-(4-oxohexyl)indole-2,3-dione
CID 106801853

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide (CID 83215945) is N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide is O=C(CN1C(=O)C(=O)c2c(F)ccc(F)c21)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide?
The InChIKey is YILIYQAJWHYJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c14-7-3-4-8(15)11-10(7)12(19)13(20)17(11)5-9(18)16-6-1-2-6/h3-4,6H,1-2,5H2,(H,16,18).
What are the key properties of N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide?
N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide has a molecular weight of 280.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,7-difluoro-2,3-dioxoindol-1-yl)acetamide is sourced from PubChem (CID 83215945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).