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

C17H17BrClNO3 — CID 19180419

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C17H17BrClNO3/c1-10-6-12(18)7-11(2)17(10)23-9-16(21)20-14-8-13(19)4-5-15(14)22-3/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyRYYSFRNPFUXOFO-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.75
Rot. Bonds5

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

2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 19180419) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID19180419
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1c(C)cc(Br)cc1C
InChIInChI=1S/C17H17BrClNO3/c1-10-6-12(18)7-11(2)17(10)23-9-16(21)20-14-8-13(19)4-5-15(14)22-3/h4-8H,9H2,1-3H3,(H,20,21)
InChIKeyRYYSFRNPFUXOFO-UHFFFAOYSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5201161
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180537
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 8759054
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-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 19180419) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)COc1c(C)cc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is RYYSFRNPFUXOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-10-6-12(18)7-11(2)17(10)23-9-16(21)20-14-8-13(19)4-5-15(14)22-3/h4-8H,9H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 398.68 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 19180419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).