2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide

C18H20BrNO3 — CID 55901846

IUPAC2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
SMILESCCCOc1cc(C)ccc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-10-22-17-11-13(2)4-9-16(17)20-18(21)12-23-15-7-5-14(19)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,20,21)
InChIKeyIGDUOJPUHJVECM-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.56
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide

2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide (PubChem CID 55901846) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
PubChem CID55901846
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide
SMILESCCCOc1cc(C)ccc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-10-22-17-11-13(2)4-9-16(17)20-18(21)12-23-15-7-5-14(19)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,20,21)
InChIKeyIGDUOJPUHJVECM-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 874144
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
N-(4-bromo-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613552
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide (CID 55901846) is 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide is CCCOc1cc(C)ccc1NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide?
The InChIKey is IGDUOJPUHJVECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-10-22-17-11-13(2)4-9-16(17)20-18(21)12-23-15-7-5-14(19)6-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide?
2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-methyl-2-propoxyphenyl)acetamide is sourced from PubChem (CID 55901846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).