N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

C22H21BrN2O2 — CID 55886737

IUPACN-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C22H21BrN2O2/c1-16-6-11-21(17(2)13-16)27-15-22(26)25(14-19-5-3-4-12-24-19)20-9-7-18(23)8-10-20/h3-13H,14-15H2,1-2H3
InChIKeyHNLQHAUBHNFOLC-UHFFFAOYSA-N
MW425.33 g/mol
LogP5.07
Rot. Bonds6

About N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide

N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55886737) has the molecular formula C22H21BrN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55886737
Molecular FormulaC22H21BrN2O2
Molecular Weight425.33 g/mol
Exact Mass424.08
IUPAC NameN-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C22H21BrN2O2/c1-16-6-11-21(17(2)13-16)27-15-22(26)25(14-19-5-3-4-12-24-19)20-9-7-18(23)8-10-20/h3-13H,14-15H2,1-2H3
InChIKeyHNLQHAUBHNFOLC-UHFFFAOYSA-N
XLogP5.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)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 N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide (CID 55886737) is N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)N(Cc2ccccn2)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HNLQHAUBHNFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O2/c1-16-6-11-21(17(2)13-16)27-15-22(26)25(14-19-5-3-4-12-24-19)20-9-7-18(23)8-10-20/h3-13H,14-15H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide?
N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 425.33 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55886737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).