2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide

C14H19Br2NO3 — CID 107738905

IUPAC2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C14H19Br2NO3/c1-3-4-9(2)17-13(19)8-20-14-11(15)5-10(7-18)6-12(14)16/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyRWOXYUKNYSKDBK-UHFFFAOYSA-N
MW409.12 g/mol
LogP3.39
Rot. Bonds7

About 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide

2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide (PubChem CID 107738905) has the molecular formula C14H19Br2NO3 and a molecular weight of 409.12 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
PubChem CID107738905
Molecular FormulaC14H19Br2NO3
Molecular Weight409.12 g/mol
Exact Mass406.97
IUPAC Name2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1c(Br)cc(CO)cc1Br
InChIInChI=1S/C14H19Br2NO3/c1-3-4-9(2)17-13(19)8-20-14-11(15)5-10(7-18)6-12(14)16/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyRWOXYUKNYSKDBK-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.12
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
CID 107739637
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952
2-(5-bromo-2-chlorophenoxy)-N-pentan-2-ylacetamide
CID 60773244
2-[2-bromo-6-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 43627207
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylacetamide
CID 115961086
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]pentanoic acid
CID 107739093
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-propan-2-ylacetamide
CID 79888347
2-(5-bromo-2-fluorophenoxy)-N-pentan-2-ylacetamide
CID 115919130
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide (CID 107738905) is 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1c(Br)cc(CO)cc1Br.
What is the InChIKey of 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide?
The InChIKey is RWOXYUKNYSKDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO3/c1-3-4-9(2)17-13(19)8-20-14-11(15)5-10(7-18)6-12(14)16/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide?
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide has a molecular weight of 409.12 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 107738905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).