2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide

C17H17F2NO2S — CID 111441782

IUPAC2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC1c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C17H17F2NO2S/c1-17(22,14-6-3-7-23-14)9-20-16(21)11-8-10(11)15-12(18)4-2-5-13(15)19/h2-7,10-11,22H,8-9H2,1H3,(H,20,21)
InChIKeySQTWKTPQIFSVTK-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.15
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide

2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 111441782) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
PubChem CID111441782
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC1c1c(F)cccc1F)c1cccs1
InChIInChI=1S/C17H17F2NO2S/c1-17(22,14-6-3-7-23-14)9-20-16(21)11-8-10(11)15-12(18)4-2-5-13(15)19/h2-7,10-11,22H,8-9H2,1H3,(H,20,21)
InChIKeySQTWKTPQIFSVTK-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 111441943
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N-(2-amino-2-ethylbutyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119641296
2,3-difluoro-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111441795
3-[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
CID 111478211
2-(2,6-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119431264
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
3-[[(1S,2S)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 124704672
cis-(1R,2S)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 124571467

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide (CID 111441782) is 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide is CC(O)(CNC(=O)C1CC1c1c(F)cccc1F)c1cccs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is SQTWKTPQIFSVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-17(22,14-6-3-7-23-14)9-20-16(21)11-8-10(11)15-12(18)4-2-5-13(15)19/h2-7,10-11,22H,8-9H2,1H3,(H,20,21).
What are the key properties of 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111441782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).