N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide

C22H27Cl2NO3 — CID 19391879

IUPACN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCc1c(Cl)cc(NC(=O)COc2ccc(C)cc2C(C)(C)CC)c(O)c1Cl
InChIInChI=1S/C22H27Cl2NO3/c1-6-14-16(23)11-17(21(27)20(14)24)25-19(26)12-28-18-9-8-13(3)10-15(18)22(4,5)7-2/h8-11,27H,6-7,12H2,1-5H3,(H,25,26)
InChIKeyXBQFSILFWGWINK-UHFFFAOYSA-N
MW424.37 g/mol
LogP6.27
Rot. Bonds7

About N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide

N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 19391879) has the molecular formula C22H27Cl2NO3 and a molecular weight of 424.37 g/mol. Its IUPAC name is N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide
PubChem CID19391879
Molecular FormulaC22H27Cl2NO3
Molecular Weight424.37 g/mol
Exact Mass423.14
IUPAC NameN-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide
SMILESCCc1c(Cl)cc(NC(=O)COc2ccc(C)cc2C(C)(C)CC)c(O)c1Cl
InChIInChI=1S/C22H27Cl2NO3/c1-6-14-16(23)11-17(21(27)20(14)24)25-19(26)12-28-18-9-8-13(3)10-15(18)22(4,5)7-2/h8-11,27H,6-7,12H2,1-5H3,(H,25,26)
InChIKeyXBQFSILFWGWINK-UHFFFAOYSA-N
XLogP6.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 3587302
4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-3-hydroxybenzoic acid
CID 108766535
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942
2-(4-chloro-3-ethylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 7642630
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
methyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
CID 19169245
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
2-(2-tert-butyl-5-methylphenoxy)-N-(2-ethylphenyl)acetamide
CID 19168145
2-(2-bromo-4-methylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 2058795
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide (CID 19391879) is N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide is CCc1c(Cl)cc(NC(=O)COc2ccc(C)cc2C(C)(C)CC)c(O)c1Cl.
What is the InChIKey of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide?
The InChIKey is XBQFSILFWGWINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3/c1-6-14-16(23)11-17(21(27)20(14)24)25-19(26)12-28-18-9-8-13(3)10-15(18)22(4,5)7-2/h8-11,27H,6-7,12H2,1-5H3,(H,25,26).
What are the key properties of N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide?
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 424.37 g/mol, XLogP of 6.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-2-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19391879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).