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

C13H11BrClNOS — CID 113221452

IUPAC2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H11BrClNOS/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)
InChIKeyDHCNESNAKTUBFU-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.14
Rot. Bonds4

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

2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 113221452) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID113221452
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC Name2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H11BrClNOS/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)
InChIKeyDHCNESNAKTUBFU-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-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 103977019
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
2-bromo-5-chloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508533
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide (CID 113221452) is 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is DHCNESNAKTUBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/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-chloro-N-(2-thiophen-2-ylethyl)benzamide?
2-bromo-5-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 2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 113221452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).