3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide

C14H13F2NO2S — CID 96521380

IUPAC3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccsc1
InChIInChI=1S/C14H13F2NO2S/c1-14(19,10-4-5-20-7-10)8-17-13(18)9-2-3-11(15)12(16)6-9/h2-7,19H,8H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyMXICPZPJVPWQLN-CQSZACIVSA-N
MW297.33 g/mol
LogP2.66
Rot. Bonds4

About 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide

3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide (PubChem CID 96521380) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
PubChem CID96521380
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
SMILESC[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccsc1
InChIInChI=1S/C14H13F2NO2S/c1-14(19,10-4-5-20-7-10)8-17-13(18)9-2-3-11(15)12(16)6-9/h2-7,19H,8H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyMXICPZPJVPWQLN-CQSZACIVSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
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
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452290
2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
CID 111451790
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

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide (CID 96521380) is 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide is C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1ccsc1.
What is the InChIKey of 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide?
The InChIKey is MXICPZPJVPWQLN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-14(19,10-4-5-20-7-10)8-17-13(18)9-2-3-11(15)12(16)6-9/h2-7,19H,8H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide?
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide has a molecular weight of 297.33 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 3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide is sourced from PubChem (CID 96521380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).