2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide

C13H11Cl2NO2S — CID 97076524

IUPAC2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c14-8-3-1-4-9(15)12(8)13(18)16-7-10(17)11-5-2-6-19-11/h1-6,10,17H,7H2,(H,16,18)/t10-/m1/s1
InChIKeyCEVLLVSINUHPEB-SNVBAGLBSA-N
MW316.21 g/mol
LogP3.52
Rot. Bonds4

About 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide

2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide (PubChem CID 97076524) has the molecular formula C13H11Cl2NO2S and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
PubChem CID97076524
Molecular FormulaC13H11Cl2NO2S
Molecular Weight316.21 g/mol
Exact Mass314.99
IUPAC Name2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1cccs1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H11Cl2NO2S/c14-8-3-1-4-9(15)12(8)13(18)16-7-10(17)11-5-2-6-19-11/h1-6,10,17H,7H2,(H,16,18)/t10-/m1/s1
InChIKeyCEVLLVSINUHPEB-SNVBAGLBSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
1-(2-chlorophenyl)-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983547
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
CID 112503956
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide (CID 97076524) is 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](O)c1cccs1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
The InChIKey is CEVLLVSINUHPEB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H11Cl2NO2S/c14-8-3-1-4-9(15)12(8)13(18)16-7-10(17)11-5-2-6-19-11/h1-6,10,17H,7H2,(H,16,18)/t10-/m1/s1.
What are the key properties of 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide?
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide has a molecular weight of 316.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 97076524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).