2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

C15H10BrClF3NO2 — CID 112828407

IUPAC2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(Br)ccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10BrClF3NO2/c16-9-5-6-11(17)13(7-9)23-8-14(22)21-12-4-2-1-3-10(12)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyHSCVGJBVFAEJJG-UHFFFAOYSA-N
MW408.60 g/mol
LogP5.14
Rot. Bonds4

About 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 112828407) has the molecular formula C15H10BrClF3NO2 and a molecular weight of 408.60 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID112828407
Molecular FormulaC15H10BrClF3NO2
Molecular Weight408.60 g/mol
Exact Mass406.95
IUPAC Name2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cc(Br)ccc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H10BrClF3NO2/c16-9-5-6-11(17)13(7-9)23-8-14(22)21-12-4-2-1-3-10(12)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyHSCVGJBVFAEJJG-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
methyl 3-bromo-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzoate
CID 36940941
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
N-(5-bromo-2-methylphenyl)-2-(2-chlorophenoxy)acetamide
CID 55804154
2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22778548
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
2-(5-bromo-2-chlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 112828409
2-(4-bromo-2-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 2234948
2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 112828407) is 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(COc1cc(Br)ccc1Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HSCVGJBVFAEJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF3NO2/c16-9-5-6-11(17)13(7-9)23-8-14(22)21-12-4-2-1-3-10(12)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 408.60 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112828407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).