N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide

C17H18ClNO3 — CID 55369187

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2O)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)19-14-8-13(18)4-5-15(14)20/h4-8,20H,9H2,1-3H3,(H,19,21)
InChIKeyWZCFVAPTRUWZHW-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.99
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 55369187) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID55369187
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2O)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)19-14-8-13(18)4-5-15(14)20/h4-8,20H,9H2,1-3H3,(H,19,21)
InChIKeyWZCFVAPTRUWZHW-UHFFFAOYSA-N
XLogP3.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.99
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

N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 836090
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
2-(2,6-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 29249229
N-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 893841
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 31527310
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
2-(2-chloro-4,6-dimethylphenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 4512628

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 55369187) is N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2cc(Cl)ccc2O)c(C)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is WZCFVAPTRUWZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10-6-11(2)17(12(3)7-10)22-9-16(21)19-14-8-13(18)4-5-15(14)20/h4-8,20H,9H2,1-3H3,(H,19,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 55369187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).