2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide

C15H16FNO2S — CID 71787802

IUPAC2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCC(O)c1cccs1
InChIInChI=1S/C15H16FNO2S/c16-12-5-3-11(4-6-12)10-15(19)17-8-7-13(18)14-2-1-9-20-14/h1-6,9,13,18H,7-8,10H2,(H,17,19)
InChIKeyQAQHHMDVFXNXHX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide

2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide (PubChem CID 71787802) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
PubChem CID71787802
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCC(O)c1cccs1
InChIInChI=1S/C15H16FNO2S/c16-12-5-3-11(4-6-12)10-15(19)17-8-7-13(18)14-2-1-9-20-14/h1-6,9,13,18H,7-8,10H2,(H,17,19)
InChIKeyQAQHHMDVFXNXHX-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787814
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95741027
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
CID 71990852
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
2-(4-fluorophenyl)-N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155801397
1-(3-hydroxy-3-thiophen-2-ylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 90524306

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide (CID 71787802) is 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide is O=C(Cc1ccc(F)cc1)NCCC(O)c1cccs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The InChIKey is QAQHHMDVFXNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c16-12-5-3-11(4-6-12)10-15(19)17-8-7-13(18)14-2-1-9-20-14/h1-6,9,13,18H,7-8,10H2,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 71787802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).