2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

C14H13F2NO2S — CID 111451668

IUPAC2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C14H13F2NO2S/c1-14(19,9-5-6-20-7-9)8-17-13(18)10-3-2-4-11(15)12(10)16/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyOOYGYRYSKDFBTQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.66
Rot. Bonds4

About 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide

2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (PubChem CID 111451668) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
PubChem CID111451668
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1cccc(F)c1F)c1ccsc1
InChIInChI=1S/C14H13F2NO2S/c1-14(19,9-5-6-20-7-9)8-17-13(18)10-3-2-4-11(15)12(10)16/h2-7,19H,8H2,1H3,(H,17,18)
InChIKeyOOYGYRYSKDFBTQ-UHFFFAOYSA-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
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
3,4-difluoro-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]benzamide
CID 96521380
(E)-3-(2,6-difluorophenyl)-N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 95784614
(Z)-3-(2,6-difluorophenyl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 97359554
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111521345
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
3-bromo-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452155
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
4-fluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(trifluoromethyl)benzamide
CID 111452010
N-(2-hydroxy-2-thiophen-3-ylpropyl)furan-2-carboxamide
CID 111452151
N-(3-amino-2,2-dimethylpropyl)-2,3-difluorobenzamide
CID 115365588

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide (CID 111451668) is 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is CC(O)(CNC(=O)c1cccc(F)c1F)c1ccsc1.
What is the InChIKey of 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
The InChIKey is OOYGYRYSKDFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-14(19,9-5-6-20-7-9)8-17-13(18)10-3-2-4-11(15)12(10)16/h2-7,19H,8H2,1H3,(H,17,18).
What are the key properties of 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide?
2,3-difluoro-N-(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 2,3-difluoro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 111451668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).