2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C19H21BrClNO3 — CID 46585246

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccccc1CNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C19H21BrClNO3/c1-13(2)24-11-15-6-4-3-5-14(15)10-22-19(23)12-25-18-8-7-16(21)9-17(18)20/h3-9,13H,10-12H2,1-2H3,(H,22,23)
InChIKeyHFLGVNJOSALMNL-UHFFFAOYSA-N
MW426.74 g/mol
LogP4.72
Rot. Bonds8

About 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 46585246) has the molecular formula C19H21BrClNO3 and a molecular weight of 426.74 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID46585246
Molecular FormulaC19H21BrClNO3
Molecular Weight426.74 g/mol
Exact Mass425.04
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccccc1CNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C19H21BrClNO3/c1-13(2)24-11-15-6-4-3-5-14(15)10-22-19(23)12-25-18-8-7-16(21)9-17(18)20/h3-9,13H,10-12H2,1-2H3,(H,22,23)
InChIKeyHFLGVNJOSALMNL-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.74
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]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

N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methylpropanamide
CID 4926464
2-(2-bromo-4-chlorophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 4217698
2-(2-bromo-4-butan-2-ylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194226
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
2-(4-chloro-2-methylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 46599023
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46449126
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222
1-(2-bromo-4-chlorophenoxy)-3-methylbutan-2-one
CID 78949293
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]acetic acid
CID 43091937

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 46585246) is 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is CC(C)OCc1ccccc1CNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is HFLGVNJOSALMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO3/c1-13(2)24-11-15-6-4-3-5-14(15)10-22-19(23)12-25-18-8-7-16(21)9-17(18)20/h3-9,13H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 426.74 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46585246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).