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

C13H12ClNO2S — CID 71683855

IUPAC3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2S/c14-10-4-1-3-9(7-10)13(17)15-8-11(16)12-5-2-6-18-12/h1-7,11,16H,8H2,(H,15,17)
InChIKeyQTKJQTSGNXEQJP-UHFFFAOYSA-N
MW281.76 g/mol
LogP2.86
Rot. Bonds4

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

3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (PubChem CID 71683855) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
PubChem CID71683855
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO2S/c14-10-4-1-3-9(7-10)13(17)15-8-11(16)12-5-2-6-18-12/h1-7,11,16H,8H2,(H,15,17)
InChIKeyQTKJQTSGNXEQJP-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (CID 71683855) is 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is O=C(NCC(O)c1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The InChIKey is QTKJQTSGNXEQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-10-4-1-3-9(7-10)13(17)15-8-11(16)12-5-2-6-18-12/h1-7,11,16H,8H2,(H,15,17).
What are the key properties of 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide has a molecular weight of 281.76 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 71683855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).