2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H22BrNO3 — CID 1328382

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-13-10-17(11-14(2)19(13)20)24-12-18(22)21-9-8-15-4-6-16(23-3)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeySPJXEFVVRKSCDF-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.81
Rot. Bonds7

About 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 1328382) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID1328382
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C19H22BrNO3/c1-13-10-17(11-14(2)19(13)20)24-12-18(22)21-9-8-15-4-6-16(23-3)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeySPJXEFVVRKSCDF-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 1328382) is 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2cc(C)c(Br)c(C)c2)cc1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is SPJXEFVVRKSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-13-10-17(11-14(2)19(13)20)24-12-18(22)21-9-8-15-4-6-16(23-3)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 392.29 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 1328382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).