2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C20H20BrN3O2 — CID 30393490

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)c(Br)c1
InChIInChI=1S/C20H20BrN3O2/c1-2-15-5-8-19(18(21)11-15)26-13-20(25)23-12-16-3-6-17(7-4-16)24-10-9-22-14-24/h3-11,14H,2,12-13H2,1H3,(H,23,25)
InChIKeyNONFSOWWZSODCR-UHFFFAOYSA-N
MW414.30 g/mol
LogP3.89
Rot. Bonds7

About 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 30393490) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID30393490
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)c(Br)c1
InChIInChI=1S/C20H20BrN3O2/c1-2-15-5-8-19(18(21)11-15)26-13-20(25)23-12-16-3-6-17(7-4-16)24-10-9-22-14-24/h3-11,14H,2,12-13H2,1H3,(H,23,25)
InChIKeyNONFSOWWZSODCR-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352434
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
2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43910298
2-(2-bromo-4-methylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 744767
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-chlorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 1287444
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 43909106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 30393490) is 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is CCc1ccc(OCC(=O)NCc2ccc(-n3ccnc3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is NONFSOWWZSODCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-2-15-5-8-19(18(21)11-15)26-13-20(25)23-12-16-3-6-17(7-4-16)24-10-9-22-14-24/h3-11,14H,2,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 414.30 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 30393490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).