2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide

C13H17BrFNO2 — CID 115919130

IUPAC2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO2/c1-3-4-9(2)16-13(17)8-18-12-7-10(14)5-6-11(12)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyGWQFMJRGSJISGD-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.27
Rot. Bonds6

About 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide

2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide (PubChem CID 115919130) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
PubChem CID115919130
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFNO2/c1-3-4-9(2)16-13(17)8-18-12-7-10(14)5-6-11(12)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyGWQFMJRGSJISGD-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-butan-2-ylpropanamide
CID 55948157
2-fluoro-6-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 107014148
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]hexanoic acid
CID 107144003
2-(5-bromo-2-fluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 114675145
2-(4-chloro-2-formylphenoxy)-N-pentan-2-ylacetamide
CID 60734519
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-(5-bromo-2-fluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 115918565
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
2-(2-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide (CID 115919130) is 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide?
The InChIKey is GWQFMJRGSJISGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-3-4-9(2)16-13(17)8-18-12-7-10(14)5-6-11(12)15/h5-7,9H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide?
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide has a molecular weight of 318.19 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 115919130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).