2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

C19H17Br2N3O2 — CID 25352434

IUPAC2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(Br)cc1Br)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17Br2N3O2/c1-13(14-2-5-16(6-3-14)24-9-8-22-12-24)23-19(25)11-26-18-7-4-15(20)10-17(18)21/h2-10,12-13H,11H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyDIXXISQGFQIHFK-CYBMUJFWSA-N
MW479.17 g/mol
LogP4.65
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (PubChem CID 25352434) has the molecular formula C19H17Br2N3O2 and a molecular weight of 479.17 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
PubChem CID25352434
Molecular FormulaC19H17Br2N3O2
Molecular Weight479.17 g/mol
Exact Mass476.97
IUPAC Name2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccc(Br)cc1Br)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17Br2N3O2/c1-13(14-2-5-16(6-3-14)24-9-8-22-12-24)23-19(25)11-26-18-7-4-15(20)10-17(18)21/h2-10,12-13H,11H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyDIXXISQGFQIHFK-CYBMUJFWSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.17
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)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

Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366205
2-(2-bromo-4-methylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366213
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 25351535
2-(2-fluorophenoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 17498298
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 25346414
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 25352048
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 25367883
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
2-(4-bromo-2-fluorophenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 27864454

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (CID 25352434) is 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is C[C@@H](NC(=O)COc1ccc(Br)cc1Br)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is DIXXISQGFQIHFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17Br2N3O2/c1-13(14-2-5-16(6-3-14)24-9-8-22-12-24)23-19(25)11-26-18-7-4-15(20)10-17(18)21/h2-10,12-13H,11H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 479.17 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 25352434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).