2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C16H13F4NO2 — CID 27052645

IUPAC2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO2/c17-13-5-7-14(8-6-13)23-10-15(22)21-9-11-1-3-12(4-2-11)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyGYACNVIILBGKKM-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 27052645) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID27052645
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC Name2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F4NO2/c17-13-5-7-14(8-6-13)23-10-15(22)21-9-11-1-3-12(4-2-11)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyGYACNVIILBGKKM-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 50945079
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 54596690
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16525993

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 27052645) is 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(COc1ccc(F)cc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GYACNVIILBGKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c17-13-5-7-14(8-6-13)23-10-15(22)21-9-11-1-3-12(4-2-11)16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 327.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 27052645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).