3-bromo-5-thiophen-2-ylbenzamide

C11H8BrNOS — CID 19756806

IUPAC3-bromo-5-thiophen-2-ylbenzamide
SMILESNC(=O)c1cc(Br)cc(-c2cccs2)c1
InChIInChI=1S/C11H8BrNOS/c12-9-5-7(10-2-1-3-15-10)4-8(6-9)11(13)14/h1-6H,(H2,13,14)
InChIKeyBUAXNLLBWIUORP-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.28
Rot. Bonds2

About 3-bromo-5-thiophen-2-ylbenzamide

3-bromo-5-thiophen-2-ylbenzamide (PubChem CID 19756806) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is 3-bromo-5-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-thiophen-2-ylbenzamide
PubChem CID19756806
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC Name3-bromo-5-thiophen-2-ylbenzamide
SMILESNC(=O)c1cc(Br)cc(-c2cccs2)c1
InChIInChI=1S/C11H8BrNOS/c12-9-5-7(10-2-1-3-15-10)4-8(6-9)11(13)14/h1-6H,(H2,13,14)
InChIKeyBUAXNLLBWIUORP-UHFFFAOYSA-N
XLogP3.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-thiophen-2-ylbenzamide?
The IUPAC name of 3-bromo-5-thiophen-2-ylbenzamide (CID 19756806) is 3-bromo-5-thiophen-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-thiophen-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-thiophen-2-ylbenzamide is NC(=O)c1cc(Br)cc(-c2cccs2)c1.
What is the InChIKey of 3-bromo-5-thiophen-2-ylbenzamide?
The InChIKey is BUAXNLLBWIUORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c12-9-5-7(10-2-1-3-15-10)4-8(6-9)11(13)14/h1-6H,(H2,13,14).
What are the key properties of 3-bromo-5-thiophen-2-ylbenzamide?
3-bromo-5-thiophen-2-ylbenzamide has a molecular weight of 282.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-thiophen-2-ylbenzamide is sourced from PubChem (CID 19756806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).