2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide

C17H18FNO2S — CID 111441943

IUPAC2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC1c1cccc(F)c1)c1cccs1
InChIInChI=1S/C17H18FNO2S/c1-17(21,15-6-3-7-22-15)10-19-16(20)14-9-13(14)11-4-2-5-12(18)8-11/h2-8,13-14,21H,9-10H2,1H3,(H,19,20)
InChIKeyRZDJCJQDXYUFTJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.01
Rot. Bonds5

About 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide

2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 111441943) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
PubChem CID111441943
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
SMILESCC(O)(CNC(=O)C1CC1c1cccc(F)c1)c1cccs1
InChIInChI=1S/C17H18FNO2S/c1-17(21,15-6-3-7-22-15)10-19-16(20)14-9-13(14)11-4-2-5-12(18)8-11/h2-8,13-14,21H,9-10H2,1H3,(H,19,20)
InChIKeyRZDJCJQDXYUFTJ-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 111441782
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111335296
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
2-(3-fluorophenyl)-N-(2-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 71881321
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 86851617
cis-(1R,2S)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 124571467
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 71782404
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111451610
(3R,4R)-4-(3-fluorophenyl)-N-(3-methylbutyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93152586
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide (CID 111441943) is 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide is CC(O)(CNC(=O)C1CC1c1cccc(F)c1)c1cccs1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is RZDJCJQDXYUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-17(21,15-6-3-7-22-15)10-19-16(20)14-9-13(14)11-4-2-5-12(18)8-11/h2-8,13-14,21H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide?
2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111441943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).