N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide

C16H13F4NO2 — CID 15712996

IUPACN-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(F)c(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C16H13F4NO2/c17-14-7-6-12(8-13(14)16(18,19)20)23-10-15(22)21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22)
InChIKeyARUSEXQNTGDFJL-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.54
Rot. Bonds5

About N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide

N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 15712996) has the molecular formula C16H13F4NO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide
PubChem CID15712996
Molecular FormulaC16H13F4NO2
Molecular Weight327.28 g/mol
Exact Mass327.09
IUPAC NameN-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(F)c(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C16H13F4NO2/c17-14-7-6-12(8-13(14)16(18,19)20)23-10-15(22)21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22)
InChIKeyARUSEXQNTGDFJL-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

N-benzyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 18165439
N-benzyl-2-[1-(cyclopropylmethyl)-2-oxo-4-(trifluoromethyl)quinolin-7-yl]oxyacetamide
CID 42877975
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-oxobutanamide;ethane
CID 156827594
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-(3,4-difluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303175
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide (CID 15712996) is N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(F)c(C(F)(F)F)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ARUSEXQNTGDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO2/c17-14-7-6-12(8-13(14)16(18,19)20)23-10-15(22)21-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,21,22).
What are the key properties of N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide?
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]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 N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 15712996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).