2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide

C16H16BrFN2O4 — CID 43071322

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
SMILESCOCCOc1ccc(NC(=O)COc2ccc(Br)cc2F)cn1
InChIInChI=1S/C16H16BrFN2O4/c1-22-6-7-23-16-5-3-12(9-19-16)20-15(21)10-24-14-4-2-11(17)8-13(14)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
InChIKeyYDMXFEUYXOYMPB-UHFFFAOYSA-N
MW399.22 g/mol
LogP3.03
Rot. Bonds8

About 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide (PubChem CID 43071322) has the molecular formula C16H16BrFN2O4 and a molecular weight of 399.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
PubChem CID43071322
Molecular FormulaC16H16BrFN2O4
Molecular Weight399.22 g/mol
Exact Mass398.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
SMILESCOCCOc1ccc(NC(=O)COc2ccc(Br)cc2F)cn1
InChIInChI=1S/C16H16BrFN2O4/c1-22-6-7-23-16-5-3-12(9-19-16)20-15(21)10-24-14-4-2-11(17)8-13(14)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)
InChIKeyYDMXFEUYXOYMPB-UHFFFAOYSA-N
XLogP3.03
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804
2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 47045391
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide (CID 43071322) is 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide is COCCOc1ccc(NC(=O)COc2ccc(Br)cc2F)cn1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide?
The InChIKey is YDMXFEUYXOYMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O4/c1-22-6-7-23-16-5-3-12(9-19-16)20-15(21)10-24-14-4-2-11(17)8-13(14)18/h2-5,8-9H,6-7,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide has a molecular weight of 399.22 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 43071322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).