2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide

C13H10BrFN2O3 — CID 61357107

IUPAC2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide
SMILESO=C(CN1C(=O)C(=O)c2cc(F)cc(Br)c21)NC1CC1
InChIInChI=1S/C13H10BrFN2O3/c14-9-4-6(15)3-8-11(9)17(13(20)12(8)19)5-10(18)16-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,18)
InChIKeySNUAUGABPLHBGS-UHFFFAOYSA-N
MW341.14 g/mol
LogP1.40
Rot. Bonds3

About 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide

2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide (PubChem CID 61357107) has the molecular formula C13H10BrFN2O3 and a molecular weight of 341.14 g/mol. Its IUPAC name is 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide
PubChem CID61357107
Molecular FormulaC13H10BrFN2O3
Molecular Weight341.14 g/mol
Exact Mass339.99
IUPAC Name2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide
SMILESO=C(CN1C(=O)C(=O)c2cc(F)cc(Br)c21)NC1CC1
InChIInChI=1S/C13H10BrFN2O3/c14-9-4-6(15)3-8-11(9)17(13(20)12(8)19)5-10(18)16-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,18)
InChIKeySNUAUGABPLHBGS-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 51.40
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 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide (CID 61357107) is 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide is O=C(CN1C(=O)C(=O)c2cc(F)cc(Br)c21)NC1CC1.
What is the InChIKey of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide?
The InChIKey is SNUAUGABPLHBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O3/c14-9-4-6(15)3-8-11(9)17(13(20)12(8)19)5-10(18)16-7-1-2-7/h3-4,7H,1-2,5H2,(H,16,18).
What are the key properties of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide?
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide has a molecular weight of 341.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 61357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).