N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

C17H15Cl4NO3 — CID 22777920

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C17H15Cl4NO3/c1-8-14(19)9(2)16(21)17(15(8)20)25-7-13(23)22-11-6-10(18)4-5-12(11)24-3/h4-6H,7H2,1-3H3,(H,22,23)
InChIKeyYIUARLMKXFZNRH-UHFFFAOYSA-N
MW423.12 g/mol
LogP5.94
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (PubChem CID 22777920) has the molecular formula C17H15Cl4NO3 and a molecular weight of 423.12 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
PubChem CID22777920
Molecular FormulaC17H15Cl4NO3
Molecular Weight423.12 g/mol
Exact Mass420.98
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl
InChIInChI=1S/C17H15Cl4NO3/c1-8-14(19)9(2)16(21)17(15(8)20)25-7-13(23)22-11-6-10(18)4-5-12(11)24-3/h4-6H,7H2,1-3H3,(H,22,23)
InChIKeyYIUARLMKXFZNRH-UHFFFAOYSA-N
XLogP5.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.12
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5201161
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178170
N-(2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275215
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide (CID 22777920) is N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is COc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
The InChIKey is YIUARLMKXFZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl4NO3/c1-8-14(19)9(2)16(21)17(15(8)20)25-7-13(23)22-11-6-10(18)4-5-12(11)24-3/h4-6H,7H2,1-3H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide has a molecular weight of 423.12 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 22777920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).