2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide

C22H28FNO3 — CID 18823969

IUPAC2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCCCC(CC)COc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO3/c1-3-5-6-17(4-2)15-26-20-11-13-21(14-12-20)27-16-22(25)24-19-9-7-18(23)8-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,25)
InChIKeyVNXGLWSVEDEDSG-UHFFFAOYSA-N
MW373.47 g/mol
LogP5.44
Rot. Bonds11

About 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide

2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 18823969) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID18823969
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
SMILESCCCCC(CC)COc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO3/c1-3-5-6-17(4-2)15-26-20-11-13-21(14-12-20)27-16-22(25)24-19-9-7-18(23)8-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,25)
InChIKeyVNXGLWSVEDEDSG-UHFFFAOYSA-N
XLogP5.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
CID 43127167
2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
CID 57062457
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide (CID 18823969) is 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide is CCCCC(CC)COc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is VNXGLWSVEDEDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-3-5-6-17(4-2)15-26-20-11-13-21(14-12-20)27-16-22(25)24-19-9-7-18(23)8-10-19/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 373.47 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 18823969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).