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

C13H13BrN2O3 — CID 61356667

IUPAC2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C13H13BrN2O3/c1-3-15(2)10(17)7-16-11-8(12(18)13(16)19)5-4-6-9(11)14/h4-6H,3,7H2,1-2H3
InChIKeyYEMAEIBDGKWIRA-UHFFFAOYSA-N
MW325.16 g/mol
LogP1.46
Rot. Bonds3

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

2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 61356667) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID61356667
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C13H13BrN2O3/c1-3-15(2)10(17)7-16-11-8(12(18)13(16)19)5-4-6-9(11)14/h4-6H,3,7H2,1-2H3
InChIKeyYEMAEIBDGKWIRA-UHFFFAOYSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61355939
2-(4-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 43309780
ethyl 4-(7-bromo-2,3-dioxoindol-1-yl)-3-oxobutanoate
CID 63896840
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
7-bromo-1-pentylindole-2,3-dione
CID 61356330
N-ethyl-2-(5-fluoro-7-methyl-2,3-dioxoindol-1-yl)-N-methylacetamide
CID 106893814
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 60711537
7-bromo-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]indole-2,3-dione
CID 62024759
7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide (CID 61356667) is 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1C(=O)C(=O)c2cccc(Br)c21.
What is the InChIKey of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is YEMAEIBDGKWIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-3-15(2)10(17)7-16-11-8(12(18)13(16)19)5-4-6-9(11)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide?
2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 325.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 61356667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).