2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

C15H9BrClF4NO2 — CID 26054468

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C15H9BrClF4NO2/c16-8-4-5-12(11(18)6-8)24-7-13(23)22-14-9(15(19,20)21)2-1-3-10(14)17/h1-6H,7H2,(H,22,23)
InChIKeySZQMRNNUPJCASG-UHFFFAOYSA-N
MW426.59 g/mol
LogP5.28
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (PubChem CID 26054468) has the molecular formula C15H9BrClF4NO2 and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
PubChem CID26054468
Molecular FormulaC15H9BrClF4NO2
Molecular Weight426.59 g/mol
Exact Mass424.94
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C15H9BrClF4NO2/c16-8-4-5-12(11(18)6-8)24-7-13(23)22-14-9(15(19,20)21)2-1-3-10(14)17/h1-6H,7H2,(H,22,23)
InChIKeySZQMRNNUPJCASG-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.59
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide (CID 26054468) is 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1F)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SZQMRNNUPJCASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClF4NO2/c16-8-4-5-12(11(18)6-8)24-7-13(23)22-14-9(15(19,20)21)2-1-3-10(14)17/h1-6H,7H2,(H,22,23).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.59 g/mol, XLogP of 5.28, 4 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-[2-chloro-6-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26054468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).