2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

C13H11ClFNO2S — CID 52992615

IUPAC2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H11ClFNO2S/c14-9-2-1-3-10(15)12(9)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6H2,(H,16,18)
InChIKeyDHMDIUNCDXUPEE-UHFFFAOYSA-N
MW299.75 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 52992615) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID52992615
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC Name2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(O)c1ccsc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H11ClFNO2S/c14-9-2-1-3-10(15)12(9)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6H2,(H,16,18)
InChIKeyDHMDIUNCDXUPEE-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]benzamide
CID 122162593
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
2,6-difluoro-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]benzamide
CID 6733826
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 52992615) is 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is O=C(NCC(O)c1ccsc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is DHMDIUNCDXUPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c14-9-2-1-3-10(15)12(9)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6H2,(H,16,18).
What are the key properties of 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 299.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 52992615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).