2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide

C13H11BrINOS — CID 113362373

IUPAC2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(I)ccc1Br
InChIInChI=1S/C13H11BrINOS/c14-12-4-3-9(15)8-11(12)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyQZEKVOJTRVKWJZ-UHFFFAOYSA-N
MW436.11 g/mol
LogP4.09
Rot. Bonds4

About 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide

2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 113362373) has the molecular formula C13H11BrINOS and a molecular weight of 436.11 g/mol. Its IUPAC name is 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID113362373
Molecular FormulaC13H11BrINOS
Molecular Weight436.11 g/mol
Exact Mass434.88
IUPAC Name2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(I)ccc1Br
InChIInChI=1S/C13H11BrINOS/c14-12-4-3-9(15)8-11(12)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyQZEKVOJTRVKWJZ-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.11
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 20776955
2-bromo-N-but-3-ynyl-5-iodobenzamide
CID 103989976
2-bromo-5-iodo-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103995758
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
5-fluoro-2-hydroxy-N-(2-thiophen-2-ylethyl)benzamide
CID 79531846
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide (CID 113362373) is 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is QZEKVOJTRVKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrINOS/c14-12-4-3-9(15)8-11(12)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17).
What are the key properties of 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide?
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 436.11 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 113362373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).