2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide

C14H14FNO2S — CID 103767187

IUPAC2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccsc2)c1F
InChIInChI=1S/C14H14FNO2S/c1-9-3-2-4-11(13(9)15)14(18)16-7-12(17)10-5-6-19-8-10/h2-6,8,12,17H,7H2,1H3,(H,16,18)
InChIKeyWHKQVOKTKSOMJB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds4

About 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide

2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide (PubChem CID 103767187) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
PubChem CID103767187
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccsc2)c1F
InChIInChI=1S/C14H14FNO2S/c1-9-3-2-4-11(13(9)15)14(18)16-7-12(17)10-5-6-19-8-10/h2-6,8,12,17H,7H2,1H3,(H,16,18)
InChIKeyWHKQVOKTKSOMJB-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
CID 122244278
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzamide
CID 103512650
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
1-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylpyrazole-4-carboxamide
CID 111441239

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide (CID 103767187) is 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(O)c2ccsc2)c1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide?
The InChIKey is WHKQVOKTKSOMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9-3-2-4-11(13(9)15)14(18)16-7-12(17)10-5-6-19-8-10/h2-6,8,12,17H,7H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide?
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.66, 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-3-ylethyl)-3-methylbenzamide is sourced from PubChem (CID 103767187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).