2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide

C13H12FNO2S — CID 71683851

IUPAC2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccs1)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-10-5-2-1-4-9(10)13(17)15-8-11(16)12-6-3-7-18-12/h1-7,11,16H,8H2,(H,15,17)
InChIKeyCLMQAEHYSMQKDH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.35
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide

2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (PubChem CID 71683851) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
PubChem CID71683851
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccs1)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-10-5-2-1-4-9(10)13(17)15-8-11(16)12-6-3-7-18-12/h1-7,11,16H,8H2,(H,15,17)
InChIKeyCLMQAEHYSMQKDH-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (CID 71683851) is 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is O=C(NCC(O)c1cccs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The InChIKey is CLMQAEHYSMQKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-10-5-2-1-4-9(10)13(17)15-8-11(16)12-6-3-7-18-12/h1-7,11,16H,8H2,(H,15,17).
What are the key properties of 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide has a molecular weight of 265.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 71683851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).