2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide

C12H10BrFN2O4 — CID 61373342

IUPAC2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2cc(Br)c(F)cc21)NCCO
InChIInChI=1S/C12H10BrFN2O4/c13-7-3-6-9(4-8(7)14)16(12(20)11(6)19)5-10(18)15-1-2-17/h3-4,17H,1-2,5H2,(H,15,18)
InChIKeyYLCPSHXJXGOVDK-UHFFFAOYSA-N
MW345.12 g/mol
LogP0.23
Rot. Bonds4

About 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide

2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 61373342) has the molecular formula C12H10BrFN2O4 and a molecular weight of 345.12 g/mol. Its IUPAC name is 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID61373342
Molecular FormulaC12H10BrFN2O4
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2cc(Br)c(F)cc21)NCCO
InChIInChI=1S/C12H10BrFN2O4/c13-7-3-6-9(4-8(7)14)16(12(20)11(6)19)5-10(18)15-1-2-17/h3-4,17H,1-2,5H2,(H,15,18)
InChIKeyYLCPSHXJXGOVDK-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide (CID 61373342) is 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide is O=C(CN1C(=O)C(=O)c2cc(Br)c(F)cc21)NCCO.
What is the InChIKey of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is YLCPSHXJXGOVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O4/c13-7-3-6-9(4-8(7)14)16(12(20)11(6)19)5-10(18)15-1-2-17/h3-4,17H,1-2,5H2,(H,15,18).
What are the key properties of 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide?
2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 345.12 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-fluoro-2,3-dioxoindol-1-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61373342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).