2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide

C14H16BrF2NO2 — CID 24878354

IUPAC2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C(F)c1ccc(Br)cc1F)C1CCOCC1
InChIInChI=1S/C14H16BrF2NO2/c1-18(10-4-6-20-7-5-10)14(19)13(17)11-3-2-9(15)8-12(11)16/h2-3,8,10,13H,4-7H2,1H3
InChIKeyMWXXYNPVNYICKX-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide

2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 24878354) has the molecular formula C14H16BrF2NO2 and a molecular weight of 348.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID24878354
Molecular FormulaC14H16BrF2NO2
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C(F)c1ccc(Br)cc1F)C1CCOCC1
InChIInChI=1S/C14H16BrF2NO2/c1-18(10-4-6-20-7-5-10)14(19)13(17)11-3-2-9(15)8-12(11)16/h2-3,8,10,13H,4-7H2,1H3
InChIKeyMWXXYNPVNYICKX-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide (CID 24878354) is 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)C(F)c1ccc(Br)cc1F)C1CCOCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is MWXXYNPVNYICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO2/c1-18(10-4-6-20-7-5-10)14(19)13(17)11-3-2-9(15)8-12(11)16/h2-3,8,10,13H,4-7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide?
2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 348.19 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-fluoro-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 24878354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).