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

C13H11BrClNOS — CID 103977019

IUPAC3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H11BrClNOS/c14-11-5-1-4-10(12(11)15)13(17)16-7-6-9-3-2-8-18-9/h1-5,8H,6-7H2,(H,16,17)
InChIKeyWNQOFXWDQCUDBS-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.14
Rot. Bonds4

About 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide

3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 103977019) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID103977019
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC Name3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(Br)c1Cl
InChIInChI=1S/C13H11BrClNOS/c14-11-5-1-4-10(12(11)15)13(17)16-7-6-9-3-2-8-18-9/h1-5,8H,6-7H2,(H,16,17)
InChIKeyWNQOFXWDQCUDBS-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
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
2-bromo-5-iodo-N-(2-thiophen-2-ylethyl)benzamide
CID 113362373
2-(2,6-dibromophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 47449504
3-bromo-2-chloro-N-[2-(3,5-difluorophenyl)ethyl]benzamide
CID 103989302
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 16787707
6-chloro-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62233796

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide (CID 103977019) is 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is WNQOFXWDQCUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c14-11-5-1-4-10(12(11)15)13(17)16-7-6-9-3-2-8-18-9/h1-5,8H,6-7H2,(H,16,17).
What are the key properties of 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide?
3-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 3-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 103977019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).