2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide

C20H16FNO3S — CID 2427182

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCc1cccs1
InChIInChI=1S/C20H16FNO3S/c21-16-7-3-14(4-8-16)20(24)15-5-9-17(10-6-15)25-13-19(23)22-12-18-2-1-11-26-18/h1-11H,12-13H2,(H,22,23)
InChIKeyTVZWXCZXKSPBKR-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.81
Rot. Bonds7

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2427182) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2427182
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCc1cccs1
InChIInChI=1S/C20H16FNO3S/c21-16-7-3-14(4-8-16)20(24)15-5-9-17(10-6-15)25-13-19(23)22-12-18-2-1-11-26-18/h1-11H,12-13H2,(H,22,23)
InChIKeyTVZWXCZXKSPBKR-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55443698
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2555289
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 9289828
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
CID 112773422
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 32774847
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795142
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide (CID 2427182) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCc1cccs1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is TVZWXCZXKSPBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c21-16-7-3-14(4-8-16)20(24)15-5-9-17(10-6-15)25-13-19(23)22-12-18-2-1-11-26-18/h1-11H,12-13H2,(H,22,23).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 369.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2427182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).