2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C16H12BrF4NO2 — CID 26241530

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF4NO2/c17-12-4-5-14(13(18)7-12)24-9-15(23)22-8-10-2-1-3-11(6-10)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyGEOQCBCHVCLGSA-UHFFFAOYSA-N
MW406.17 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 26241530) has the molecular formula C16H12BrF4NO2 and a molecular weight of 406.17 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID26241530
Molecular FormulaC16H12BrF4NO2
Molecular Weight406.17 g/mol
Exact Mass405.00
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF4NO2/c17-12-4-5-14(13(18)7-12)24-9-15(23)22-8-10-2-1-3-11(6-10)16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyGEOQCBCHVCLGSA-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.17
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871375
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-(2-phenylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 8871382
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-chlorobenzoate
CID 46860400
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
N-benzyl-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 17442660
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55340991
2-(2-bromo-4-chlorophenoxy)-N-[(3-fluorophenyl)methyl]acetamide
CID 46447882

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 26241530) is 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is O=C(COc1ccc(Br)cc1F)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is GEOQCBCHVCLGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF4NO2/c17-12-4-5-14(13(18)7-12)24-9-15(23)22-8-10-2-1-3-11(6-10)16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 406.17 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 26241530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).