3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide

C13H13F2N3O3 — CID 79629837

IUPAC3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1C(=O)C(=O)c2cc(F)cc(F)c21)C(=O)NN
InChIInChI=1S/C13H13F2N3O3/c1-13(2,12(21)17-16)5-18-9-7(10(19)11(18)20)3-6(14)4-8(9)15/h3-4H,5,16H2,1-2H3,(H,17,21)
InChIKeyBLGNCVVBZCZLEE-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.51
Rot. Bonds3

About 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide

3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide (PubChem CID 79629837) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide
PubChem CID79629837
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC Name3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1C(=O)C(=O)c2cc(F)cc(F)c21)C(=O)NN
InChIInChI=1S/C13H13F2N3O3/c1-13(2,12(21)17-16)5-18-9-7(10(19)11(18)20)3-6(14)4-8(9)15/h3-4H,5,16H2,1-2H3,(H,17,21)
InChIKeyBLGNCVVBZCZLEE-UHFFFAOYSA-N
XLogP0.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide (CID 79629837) is 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide is CC(C)(CN1C(=O)C(=O)c2cc(F)cc(F)c21)C(=O)NN.
What is the InChIKey of 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is BLGNCVVBZCZLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c1-13(2,12(21)17-16)5-18-9-7(10(19)11(18)20)3-6(14)4-8(9)15/h3-4H,5,16H2,1-2H3,(H,17,21).
What are the key properties of 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide?
3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 297.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-difluoro-2,3-dioxoindol-1-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79629837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).