2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide

C15H14BrFN2O2 — CID 99564617

IUPAC2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(N(C)C(=O)COc2ccc(Br)cc2F)n1
InChIInChI=1S/C15H14BrFN2O2/c1-10-4-3-5-14(18-10)19(2)15(20)9-21-13-7-6-11(16)8-12(13)17/h3-8H,9H2,1-2H3
InChIKeyWQGPTUOZVQMACS-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.33
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide

2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 99564617) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID99564617
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(N(C)C(=O)COc2ccc(Br)cc2F)n1
InChIInChI=1S/C15H14BrFN2O2/c1-10-4-3-5-14(18-10)19(2)15(20)9-21-13-7-6-11(16)8-12(13)17/h3-8H,9H2,1-2H3
InChIKeyWQGPTUOZVQMACS-UHFFFAOYSA-N
XLogP3.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 47024393
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511647
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]acetic acid
CID 54900985
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62817330
2-(4-bromo-2-fluorophenoxy)-N-(cyanomethyl)-N-ethylacetamide
CID 47082970
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
2-(4-bromo-2-fluorophenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61038556
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
2-(4-bromo-2-fluorophenoxy)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981552
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide (CID 99564617) is 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(N(C)C(=O)COc2ccc(Br)cc2F)n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is WQGPTUOZVQMACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-10-4-3-5-14(18-10)19(2)15(20)9-21-13-7-6-11(16)8-12(13)17/h3-8H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 99564617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).