2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

C11H11BrF3NO3 — CID 2572511

IUPAC2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1CO)NCC(F)(F)F
InChIInChI=1S/C11H11BrF3NO3/c12-8-1-2-9(7(3-8)4-17)19-5-10(18)16-6-11(13,14)15/h1-3,17H,4-6H2,(H,16,18)
InChIKeyYLMJCMPEQSLVOF-UHFFFAOYSA-N
MW342.11 g/mol
LogP2.00
Rot. Bonds5

About 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2572511) has the molecular formula C11H11BrF3NO3 and a molecular weight of 342.11 g/mol. Its IUPAC name is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2572511
Molecular FormulaC11H11BrF3NO3
Molecular Weight342.11 g/mol
Exact Mass340.99
IUPAC Name2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc(Br)cc1CO)NCC(F)(F)F
InChIInChI=1S/C11H11BrF3NO3/c12-8-1-2-9(7(3-8)4-17)19-5-10(18)16-6-11(13,14)15/h1-3,17H,4-6H2,(H,16,18)
InChIKeyYLMJCMPEQSLVOF-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
CID 803345
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 2184244
2-(4-bromophenoxy)-N-(2-hydroxyethyl)acetamide
CID 2183124
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-ethoxyacetamide
CID 53553429
N-[[6-bromo-2-hydroxy-2-(trifluoromethyl)chromen-3-yl]methyl]acetamide
CID 122183006
N-[2-(4-bromo-2,6-dimethylphenoxy)ethyl]acetamide
CID 2301036
N-allyl-2-(4-bromo-2-methylphenoxy)acetamide
CID 2296583
2-(4-bromo-2-methylphenoxy)-N-cycloheptylacetamide
CID 803030
2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide
CID 803318
2-(4-bromo-2-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 803506
2-(4-bromo-2-methylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 1013886
2-(4-bromo-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 1328957

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 2572511) is 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccc(Br)cc1CO)NCC(F)(F)F.
What is the InChIKey of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YLMJCMPEQSLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO3/c12-8-1-2-9(7(3-8)4-17)19-5-10(18)16-6-11(13,14)15/h1-3,17H,4-6H2,(H,16,18).
What are the key properties of 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 342.11 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2572511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).