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

C13H12F2N2O3 — CID 83215709

IUPAC3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C13H12F2N2O3/c1-2-16-9(18)5-6-17-11-8(15)4-3-7(14)10(11)12(19)13(17)20/h3-4H,2,5-6H2,1H3,(H,16,18)
InChIKeyDUVZSQPWONZXBW-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.02
Rot. Bonds4

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

3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide (PubChem CID 83215709) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
PubChem CID83215709
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C13H12F2N2O3/c1-2-16-9(18)5-6-17-11-8(15)4-3-7(14)10(11)12(19)13(17)20/h3-4H,2,5-6H2,1H3,(H,16,18)
InChIKeyDUVZSQPWONZXBW-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide (CID 83215709) is 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)C(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The InChIKey is DUVZSQPWONZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c1-2-16-9(18)5-6-17-11-8(15)4-3-7(14)10(11)12(19)13(17)20/h3-4H,2,5-6H2,1H3,(H,16,18).
What are the key properties of 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide has a molecular weight of 282.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 83215709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).