N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide

C13H13FN2O3 — CID 62325539

IUPACN-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C13H13FN2O3/c1-2-15-11(17)5-6-16-10-4-3-8(14)7-9(10)12(18)13(16)19/h3-4,7H,2,5-6H2,1H3,(H,15,17)
InChIKeyMNXXBIIBVQWBSX-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.88
Rot. Bonds4

About N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide

N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide (PubChem CID 62325539) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
PubChem CID62325539
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(F)ccc21
InChIInChI=1S/C13H13FN2O3/c1-2-15-11(17)5-6-16-10-4-3-8(14)7-9(10)12(18)13(16)19/h3-4,7H,2,5-6H2,1H3,(H,15,17)
InChIKeyMNXXBIIBVQWBSX-UHFFFAOYSA-N
XLogP0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.88
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

3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
CID 106893739
5-fluoro-1-heptylindole-2,3-dione
CID 43129613
3-(6-fluoro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325538
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
5-fluoro-1-(2-methylsulfanylethyl)indole-2,3-dione
CID 115579387
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
3-(4,7-difluoro-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 83215709
5-fluoro-1-(3-methyl-2-oxobutyl)indole-2,3-dione
CID 79395662
trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705188
5-fluoro-1-[2-(2-oxo-1-pyridinyl)ethyl]indole-2,3-dione
CID 78917281
3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325713

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide (CID 62325539) is N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide is CCNC(=O)CCN1C(=O)C(=O)c2cc(F)ccc21.
What is the InChIKey of N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide?
The InChIKey is MNXXBIIBVQWBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-15-11(17)5-6-16-10-4-3-8(14)7-9(10)12(18)13(16)19/h3-4,7H,2,5-6H2,1H3,(H,15,17).
What are the key properties of N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide?
N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide has a molecular weight of 264.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide is sourced from PubChem (CID 62325539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).