2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide

C17H18BrFN2O3 — CID 175723620

IUPAC2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCc1cc(F)cc(C)c1Oc1cn(CC(=O)N(C)C)c(=O)cc1Br
InChIInChI=1S/C17H18BrFN2O3/c1-10-5-12(19)6-11(2)17(10)24-14-8-21(9-16(23)20(3)4)15(22)7-13(14)18/h5-8H,9H2,1-4H3
InChIKeyCBQRNOGTXTWFTN-UHFFFAOYSA-N
MW397.24 g/mol
LogP3.25
Rot. Bonds4

About 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide

2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (PubChem CID 175723620) has the molecular formula C17H18BrFN2O3 and a molecular weight of 397.24 g/mol. Its IUPAC name is 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
PubChem CID175723620
Molecular FormulaC17H18BrFN2O3
Molecular Weight397.24 g/mol
Exact Mass396.05
IUPAC Name2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCc1cc(F)cc(C)c1Oc1cn(CC(=O)N(C)C)c(=O)cc1Br
InChIInChI=1S/C17H18BrFN2O3/c1-10-5-12(19)6-11(2)17(10)24-14-8-21(9-16(23)20(3)4)15(22)7-13(14)18/h5-8H,9H2,1-4H3
InChIKeyCBQRNOGTXTWFTN-UHFFFAOYSA-N
XLogP3.25
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (CID 175723620) is 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is Cc1cc(F)cc(C)c1Oc1cn(CC(=O)N(C)C)c(=O)cc1Br.
What is the InChIKey of 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is CBQRNOGTXTWFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3/c1-10-5-12(19)6-11(2)17(10)24-14-8-21(9-16(23)20(3)4)15(22)7-13(14)18/h5-8H,9H2,1-4H3.
What are the key properties of 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 397.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 175723620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).