2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide

C17H17Br2NO2 — CID 2788023

IUPAC2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H17Br2NO2/c1-11(2)12-3-6-14(7-4-12)20-17(21)10-22-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyWSPFRKHSRNHUCM-UHFFFAOYSA-N
MW427.14 g/mol
LogP5.35
Rot. Bonds5

About 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide

2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2788023) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2788023
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Name2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H17Br2NO2/c1-11(2)12-3-6-14(7-4-12)20-17(21)10-22-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyWSPFRKHSRNHUCM-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)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-(2-bromo-4-chlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7708017
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7313472
2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
CID 43887726
3-methylbutyl 4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzoate
CID 19168857
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
3-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197394

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide (CID 2788023) is 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is WSPFRKHSRNHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-11(2)12-3-6-14(7-4-12)20-17(21)10-22-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide?
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 427.14 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2788023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).