N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide

C12H13BrN2O2 — CID 665145

IUPACN-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C12H13BrN2O2/c1-3-15-10-5-4-8(13)6-9(10)11(12(15)17)14-7(2)16/h4-6,11H,3H2,1-2H3,(H,14,16)
InChIKeyQQSLXUBUURIZKE-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.99
Rot. Bonds2

About N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide

N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 665145) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide
PubChem CID665145
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21
InChIInChI=1S/C12H13BrN2O2/c1-3-15-10-5-4-8(13)6-9(10)11(12(15)17)14-7(2)16/h4-6,11H,3H2,1-2H3,(H,14,16)
InChIKeyQQSLXUBUURIZKE-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide (CID 665145) is N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide is CCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21.
What is the InChIKey of N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is QQSLXUBUURIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-3-15-10-5-4-8(13)6-9(10)11(12(15)17)14-7(2)16/h4-6,11H,3H2,1-2H3,(H,14,16).
What are the key properties of N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide?
N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 297.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 665145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).