2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide

C17H13BrFN3O2 — CID 37238606

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H13BrFN3O2/c18-12-1-6-16(15(19)9-12)24-10-17(23)21-13-2-4-14(5-3-13)22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23)
InChIKeyFTPGSLSJTWPTSD-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 37238606) has the molecular formula C17H13BrFN3O2 and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
PubChem CID37238606
Molecular FormulaC17H13BrFN3O2
Molecular Weight390.21 g/mol
Exact Mass389.02
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H13BrFN3O2/c18-12-1-6-16(15(19)9-12)24-10-17(23)21-13-2-4-14(5-3-13)22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23)
InChIKeyFTPGSLSJTWPTSD-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 39278809
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
2-(2,4-dibromophenoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352434
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
N-(4-imidazol-1-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 37239311
2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 43071322
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
2-(4-chloro-2-methylphenoxy)-N-(3-fluoro-4-imidazol-1-ylphenyl)acetamide
CID 55856249
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide (CID 37238606) is 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide is O=C(COc1ccc(Br)cc1F)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is FTPGSLSJTWPTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2/c18-12-1-6-16(15(19)9-12)24-10-17(23)21-13-2-4-14(5-3-13)22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 390.21 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 37238606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).