2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C16H12BrClF3NO2 — CID 2058795

IUPAC2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1
InChIInChI=1S/C16H12BrClF3NO2/c1-9-2-5-14(12(17)6-9)24-8-15(23)22-10-3-4-13(18)11(7-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23)
InChIKeyGKRGXAGHCGBUCA-UHFFFAOYSA-N
MW422.63 g/mol
LogP5.45
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2058795) has the molecular formula C16H12BrClF3NO2 and a molecular weight of 422.63 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID2058795
Molecular FormulaC16H12BrClF3NO2
Molecular Weight422.63 g/mol
Exact Mass420.97
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1
InChIInChI=1S/C16H12BrClF3NO2/c1-9-2-5-14(12(17)6-9)24-8-15(23)22-10-3-4-13(18)11(7-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23)
InChIKeyGKRGXAGHCGBUCA-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.63
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1188923
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108953519
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 2058795) is 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GKRGXAGHCGBUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClF3NO2/c1-9-2-5-14(12(17)6-9)24-8-15(23)22-10-3-4-13(18)11(7-10)16(19,20)21/h2-7H,8H2,1H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 422.63 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2058795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).