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

C13H12BrFN2O3 — CID 61355939

IUPAC2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C13H12BrFN2O3/c1-3-16(2)10(18)6-17-11-8(12(19)13(17)20)4-7(15)5-9(11)14/h4-5H,3,6H2,1-2H3
InChIKeySRYBBOWMQFUUBB-UHFFFAOYSA-N
MW343.15 g/mol
LogP1.60
Rot. Bonds3

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

2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 61355939) has the molecular formula C13H12BrFN2O3 and a molecular weight of 343.15 g/mol. Its IUPAC name is 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID61355939
Molecular FormulaC13H12BrFN2O3
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C13H12BrFN2O3/c1-3-16(2)10(18)6-17-11-8(12(19)13(17)20)4-7(15)5-9(11)14/h4-5H,3,6H2,1-2H3
InChIKeySRYBBOWMQFUUBB-UHFFFAOYSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
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-ethyl-N-methylacetamide?
The IUPAC name of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide (CID 61355939) is 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21.
What is the InChIKey of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is SRYBBOWMQFUUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3/c1-3-16(2)10(18)6-17-11-8(12(19)13(17)20)4-7(15)5-9(11)14/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 343.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 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-ethyl-N-methylacetamide is sourced from PubChem (CID 61355939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).