2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

C17H15BrF3NO2 — CID 17197570

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3NO2/c1-10-6-13(18)7-11(2)16(10)24-9-15(23)22-14-5-3-4-12(8-14)17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyFHKUUUMRRZDHBR-UHFFFAOYSA-N
MW402.21 g/mol
LogP5.10
Rot. Bonds4

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 17197570) has the molecular formula C17H15BrF3NO2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID17197570
Molecular FormulaC17H15BrF3NO2
Molecular Weight402.21 g/mol
Exact Mass401.02
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15BrF3NO2/c1-10-6-13(18)7-11(2)16(10)24-9-15(23)22-14-5-3-4-12(8-14)17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyFHKUUUMRRZDHBR-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.21
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-[3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204542
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 120605363
2-(2-bromo-4-chlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7900662
N-(3-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 2610777
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
2-(2-acetylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 112781566
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 7290642
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 17197570) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FHKUUUMRRZDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO2/c1-10-6-13(18)7-11(2)16(10)24-9-15(23)22-14-5-3-4-12(8-14)17(19,20)21/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 402.21 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17197570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).