2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide

C16H10BrFN2O3 — CID 141415197

IUPAC2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2ccc(Br)cc21)Nc1ccccc1F
InChIInChI=1S/C16H10BrFN2O3/c17-9-5-6-10-13(7-9)20(16(23)15(10)22)8-14(21)19-12-4-2-1-3-11(12)18/h1-7H,8H2,(H,19,21)
InChIKeyKYFZFVCYDOHPMF-UHFFFAOYSA-N
MW377.17 g/mol
LogP2.76
Rot. Bonds3

About 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide

2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 141415197) has the molecular formula C16H10BrFN2O3 and a molecular weight of 377.17 g/mol. Its IUPAC name is 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID141415197
Molecular FormulaC16H10BrFN2O3
Molecular Weight377.17 g/mol
Exact Mass375.99
IUPAC Name2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)C(=O)c2ccc(Br)cc21)Nc1ccccc1F
InChIInChI=1S/C16H10BrFN2O3/c17-9-5-6-10-13(7-9)20(16(23)15(10)22)8-14(21)19-12-4-2-1-3-11(12)18/h1-7H,8H2,(H,19,21)
InChIKeyKYFZFVCYDOHPMF-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.17
LogP ≤ 52.76
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

2-(6-bromo-2,3-dioxoindol-1-yl)-N-cyclopentylacetamide
CID 29299798
N-(4-bromo-2-fluorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 16552792
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4793539
6-bromo-1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]indole-2,3-dione
CID 62024815
2-[(4E)-4-[(4-bromothiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126218386
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
N-(2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905924
2-[(2R,6R)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2-fluorophenyl)acetamide
CID 2148300

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide (CID 141415197) is 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide is O=C(CN1C(=O)C(=O)c2ccc(Br)cc21)Nc1ccccc1F.
What is the InChIKey of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is KYFZFVCYDOHPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2O3/c17-9-5-6-10-13(7-9)20(16(23)15(10)22)8-14(21)19-12-4-2-1-3-11(12)18/h1-7H,8H2,(H,19,21).
What are the key properties of 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide?
2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 377.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2,3-dioxoindol-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 141415197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).