2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

C15H16FNO3S — CID 90499789

IUPAC2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)COc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H16FNO3S/c1-15(19,13-3-2-8-21-13)10-17-14(18)9-20-12-6-4-11(16)5-7-12/h2-8,19H,9-10H2,1H3,(H,17,18)
InChIKeyHZZHUKLGUNOOKT-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.29
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (PubChem CID 90499789) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
PubChem CID90499789
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)COc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H16FNO3S/c1-15(19,13-3-2-8-21-13)10-17-14(18)9-20-12-6-4-11(16)5-7-12/h2-8,19H,9-10H2,1H3,(H,17,18)
InChIKeyHZZHUKLGUNOOKT-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111442137
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
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
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
CID 111478211

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (CID 90499789) is 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is CC(O)(CNC(=O)COc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is HZZHUKLGUNOOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-15(19,13-3-2-8-21-13)10-17-14(18)9-20-12-6-4-11(16)5-7-12/h2-8,19H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 90499789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).