2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide

C18H19BrClNO3 — CID 5201161

IUPAC2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Br)c(C)c1C
InChIInChI=1S/C18H19BrClNO3/c1-10-7-16(11(2)12(3)18(10)19)24-9-17(22)21-14-8-13(20)5-6-15(14)23-4/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyHQILVJXTMKZYQQ-UHFFFAOYSA-N
MW412.71 g/mol
LogP5.05
Rot. Bonds5

About 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 5201161) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID5201161
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Br)c(C)c1C
InChIInChI=1S/C18H19BrClNO3/c1-10-7-16(11(2)12(3)18(10)19)24-9-17(22)21-14-8-13(20)5-6-15(14)23-4/h5-8H,9H2,1-4H3,(H,21,22)
InChIKeyHQILVJXTMKZYQQ-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,5-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 5183208
2-(4-bromo-2,6-dimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 19180419
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 22777920
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
N-(4-bromo-2,5-dimethoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 19172733
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4650894
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 5039239
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 5201161) is 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)COc1cc(C)c(Br)c(C)c1C.
What is the InChIKey of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is HQILVJXTMKZYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-10-7-16(11(2)12(3)18(10)19)24-9-17(22)21-14-8-13(20)5-6-15(14)23-4/h5-8H,9H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 412.71 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3,5-trimethylphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 5201161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).