3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide

C16H17F2NO2S — CID 111452290

IUPAC3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
SMILESCC(O)(CNC(=O)CCc1ccc(F)c(F)c1)c1ccsc1
InChIInChI=1S/C16H17F2NO2S/c1-16(21,12-6-7-22-9-12)10-19-15(20)5-3-11-2-4-13(17)14(18)8-11/h2,4,6-9,21H,3,5,10H2,1H3,(H,19,20)
InChIKeyNETIHAJCMBWNNG-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.98
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide

3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide (PubChem CID 111452290) has the molecular formula C16H17F2NO2S and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
PubChem CID111452290
Molecular FormulaC16H17F2NO2S
Molecular Weight325.38 g/mol
Exact Mass325.09
IUPAC Name3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
SMILESCC(O)(CNC(=O)CCc1ccc(F)c(F)c1)c1ccsc1
InChIInChI=1S/C16H17F2NO2S/c1-16(21,12-6-7-22-9-12)10-19-15(20)5-3-11-2-4-13(17)14(18)8-11/h2,4,6-9,21H,3,5,10H2,1H3,(H,19,20)
InChIKeyNETIHAJCMBWNNG-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.98
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
2-(3,4-difluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
CID 111451790
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111519812
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide (CID 111452290) is 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide is CC(O)(CNC(=O)CCc1ccc(F)c(F)c1)c1ccsc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
The InChIKey is NETIHAJCMBWNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2S/c1-16(21,12-6-7-22-9-12)10-19-15(20)5-3-11-2-4-13(17)14(18)8-11/h2,4,6-9,21H,3,5,10H2,1H3,(H,19,20).
What are the key properties of 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide?
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide is sourced from PubChem (CID 111452290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).