2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide

C14H13F2NO2S — CID 95983276

IUPAC2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
SMILESC[C@](O)(CNC(=O)c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C14H13F2NO2S/c1-14(19,11-6-3-7-20-11)8-17-13(18)12-9(15)4-2-5-10(12)16/h2-7,19H,8H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyBJWISLUVQSCRDV-AWEZNQCLSA-N
MW297.33 g/mol
LogP2.66
Rot. Bonds4

About 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide

2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide (PubChem CID 95983276) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
PubChem CID95983276
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
SMILESC[C@](O)(CNC(=O)c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C14H13F2NO2S/c1-14(19,11-6-3-7-20-11)8-17-13(18)12-9(15)4-2-5-10(12)16/h2-7,19H,8H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyBJWISLUVQSCRDV-AWEZNQCLSA-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

2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 111441782
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
2,5-dichloro-N-(2-hydroxy-2-thiophen-2-ylpropyl)thiophene-3-carboxamide
CID 111442284
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 90499784
2,6-difluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzamide
CID 71781812
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
CID 90499769
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
CID 111478211

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide (CID 95983276) is 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide is C[C@](O)(CNC(=O)c1c(F)cccc1F)c1cccs1.
What is the InChIKey of 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
The InChIKey is BJWISLUVQSCRDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-14(19,11-6-3-7-20-11)8-17-13(18)12-9(15)4-2-5-10(12)16/h2-7,19H,8H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide?
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-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 2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide is sourced from PubChem (CID 95983276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).