3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide

C13H13BrN2O3 — CID 62325001

IUPAC3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O3/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)
InChIKeyMUVDLKXKUDHBTN-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.50
Rot. Bonds4

About 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide

3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide (PubChem CID 62325001) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
PubChem CID62325001
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O3/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)
InChIKeyMUVDLKXKUDHBTN-UHFFFAOYSA-N
XLogP1.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.50
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

N-ethyl-3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide
CID 62325539
3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
CID 43152576
3-(5-bromo-7-methyl-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325713
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
CID 63579731
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417
hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
CID 66338418
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
N-ethyl-3-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)propanamide
CID 106893739
5-bromo-1-(2-tert-butylsulfonylethyl)indole-2,3-dione
CID 106726034
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The IUPAC name of 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide (CID 62325001) is 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide is CCNC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
The InChIKey is MUVDLKXKUDHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/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 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide?
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide has a molecular weight of 325.16 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 62325001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).