2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide

C14H12BrFN2O2 — CID 46651554

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2F)nc1
InChIInChI=1S/C14H12BrFN2O2/c1-9-2-5-13(17-7-9)18-14(19)8-20-12-4-3-10(15)6-11(12)16/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyBNEWKEYOGWSMNM-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 46651554) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID46651554
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2F)nc1
InChIInChI=1S/C14H12BrFN2O2/c1-9-2-5-13(17-7-9)18-14(19)8-20-12-4-3-10(15)6-11(12)16/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyBNEWKEYOGWSMNM-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-(2,4-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 837547
N-(5-methyl-2-pyridinyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 681610
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(4-bromo-2-fluorophenoxy)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 47045391
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866723
2-(4-bromo-2-fluorophenoxy)-N-[6-(2-methoxyethoxy)-3-pyridinyl]acetamide
CID 43071322
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide (CID 46651554) is 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Br)cc2F)nc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is BNEWKEYOGWSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-9-2-5-13(17-7-9)18-14(19)8-20-12-4-3-10(15)6-11(12)16/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 339.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 46651554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).