2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

C20H20BrN3O2 — CID 25366205

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(Br)c1
InChIInChI=1S/C20H20BrN3O2/c1-14-3-8-19(18(21)11-14)26-12-20(25)23-15(2)16-4-6-17(7-5-16)24-10-9-22-13-24/h3-11,13,15H,12H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyPPNARCGDZJFDBX-OAHLLOKOSA-N
MW414.30 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide

2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (PubChem CID 25366205) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
PubChem CID25366205
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(Br)c1
InChIInChI=1S/C20H20BrN3O2/c1-14-3-8-19(18(21)11-14)26-12-20(25)23-15(2)16-4-6-17(7-5-16)24-10-9-22-13-24/h3-11,13,15H,12H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyPPNARCGDZJFDBX-OAHLLOKOSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25366213
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352434
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-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 25367883
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
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 46458287
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide (CID 25366205) is 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is Cc1ccc(OCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is PPNARCGDZJFDBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-14-3-8-19(18(21)11-14)26-12-20(25)23-15(2)16-4-6-17(7-5-16)24-10-9-22-13-24/h3-11,13,15H,12H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide?
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 414.30 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 25366205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).