3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

C13H12ClNO3S — CID 103686182

IUPAC3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H12ClNO3S/c14-10-5-8(1-2-11(10)16)13(18)15-6-12(17)9-3-4-19-7-9/h1-5,7,12,16-17H,6H2,(H,15,18)
InChIKeyWKSAYDBJDYOSPZ-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.57
Rot. Bonds4

About 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 103686182) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID103686182
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C13H12ClNO3S/c14-10-5-8(1-2-11(10)16)13(18)15-6-12(17)9-3-4-19-7-9/h1-5,7,12,16-17H,6H2,(H,15,18)
InChIKeyWKSAYDBJDYOSPZ-UHFFFAOYSA-N
XLogP2.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
3-chloro-4-hydroxy-N-thiophen-3-ylbenzamide
CID 64988130
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 103686182) is 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is O=C(NCC(O)c1ccsc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is WKSAYDBJDYOSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c14-10-5-8(1-2-11(10)16)13(18)15-6-12(17)9-3-4-19-7-9/h1-5,7,12,16-17H,6H2,(H,15,18).
What are the key properties of 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 297.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 103686182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).