2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide

C15H16FNO3S — CID 71787814

IUPAC2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESO=C(COc1ccccc1F)NCCC(O)c1cccs1
InChIInChI=1S/C15H16FNO3S/c16-11-4-1-2-5-13(11)20-10-15(19)17-8-7-12(18)14-6-3-9-21-14/h1-6,9,12,18H,7-8,10H2,(H,17,19)
InChIKeyCZXFQAWEGLPQDH-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.51
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide

2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide (PubChem CID 71787814) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
PubChem CID71787814
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESO=C(COc1ccccc1F)NCCC(O)c1cccs1
InChIInChI=1S/C15H16FNO3S/c16-11-4-1-2-5-13(11)20-10-15(19)17-8-7-12(18)14-6-3-9-21-14/h1-6,9,12,18H,7-8,10H2,(H,17,19)
InChIKeyCZXFQAWEGLPQDH-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
CID 86266717
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787802
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
2-(2-fluorophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9011592
2-(2-fluorophenoxy)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265100
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-(2-fluorophenoxy)-N-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 129355138
N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide (CID 71787814) is 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide is O=C(COc1ccccc1F)NCCC(O)c1cccs1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The InChIKey is CZXFQAWEGLPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-11-4-1-2-5-13(11)20-10-15(19)17-8-7-12(18)14-6-3-9-21-14/h1-6,9,12,18H,7-8,10H2,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 71787814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).