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

C13H11BrClNOS — CID 27770225

IUPAC5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClNOS/c14-9-3-4-12(15)11(8-9)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyVZRKTPONNAKGIX-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.14
Rot. Bonds4

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

5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770225) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770225
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC Name5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H11BrClNOS/c14-9-3-4-12(15)11(8-9)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6H2,(H,16,17)
InChIKeyVZRKTPONNAKGIX-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.66
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
5-bromo-2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139935
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
5-bromo-2-chloro-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867627
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide (CID 27770225) is 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is VZRKTPONNAKGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c14-9-3-4-12(15)11(8-9)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 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 344.66 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).