4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide

C15H13F4NO2S — CID 111452010

IUPAC4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C15H13F4NO2S/c1-14(22,10-4-5-23-7-10)8-20-13(21)9-2-3-12(16)11(6-9)15(17,18)19/h2-7,22H,8H2,1H3,(H,20,21)
InChIKeyPIBZAOUIBWEXST-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.54
Rot. Bonds4

About 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 111452010) has the molecular formula C15H13F4NO2S and a molecular weight of 347.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID111452010
Molecular FormulaC15H13F4NO2S
Molecular Weight347.33 g/mol
Exact Mass347.06
IUPAC Name4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C15H13F4NO2S/c1-14(22,10-4-5-23-7-10)8-20-13(21)9-2-3-12(16)11(6-9)15(17,18)19/h2-7,22H,8H2,1H3,(H,20,21)
InChIKeyPIBZAOUIBWEXST-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)pyridine-4-carboxamide
CID 111451765
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451668
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
4-(difluoromethylsulfanyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452036
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(methoxymethyl)benzamide
CID 111452131
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111452101
4-fluoro-N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64996833
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide (CID 111452010) is 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide is CC(O)(CNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is PIBZAOUIBWEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO2S/c1-14(22,10-4-5-23-7-10)8-20-13(21)9-2-3-12(16)11(6-9)15(17,18)19/h2-7,22H,8H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 347.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 111452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).