2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

C17H13Cl3F3NO2 — CID 22778548

IUPAC2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1Cl
InChIInChI=1S/C17H13Cl3F3NO2/c1-8-13(18)9(2)15(20)16(14(8)19)26-7-12(25)24-11-6-4-3-5-10(11)17(21,22)23/h3-6H,7H2,1-2H3,(H,24,25)
InChIKeyBIKRTLLKQAPKOA-UHFFFAOYSA-N
MW426.65 g/mol
LogP6.30
Rot. Bonds4

About 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 22778548) has the molecular formula C17H13Cl3F3NO2 and a molecular weight of 426.65 g/mol. Its IUPAC name is 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID22778548
Molecular FormulaC17H13Cl3F3NO2
Molecular Weight426.65 g/mol
Exact Mass425.00
IUPAC Name2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1Cl
InChIInChI=1S/C17H13Cl3F3NO2/c1-8-13(18)9(2)15(20)16(14(8)19)26-7-12(25)24-11-6-4-3-5-10(11)17(21,22)23/h3-6H,7H2,1-2H3,(H,24,25)
InChIKeyBIKRTLLKQAPKOA-UHFFFAOYSA-N
XLogP6.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112828407
N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1188045
N-[4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17117574
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
N-tert-butyl-3-chloro-7-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]-1-benzothiophene-2-carboxamide
CID 17336185
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 2359382
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
N-[2-[(dimethylamino)methyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 38435524

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 22778548) is 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1Cl.
What is the InChIKey of 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BIKRTLLKQAPKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3F3NO2/c1-8-13(18)9(2)15(20)16(14(8)19)26-7-12(25)24-11-6-4-3-5-10(11)17(21,22)23/h3-6H,7H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.65 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichloro-3,5-dimethylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22778548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).