2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide

C11H11BrF3NO4 — CID 102714921

IUPAC2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(OC(F)(F)F)c(Br)c1)NCCO
InChIInChI=1S/C11H11BrF3NO4/c12-8-5-7(19-6-10(18)16-3-4-17)1-2-9(8)20-11(13,14)15/h1-2,5,17H,3-4,6H2,(H,16,18)
InChIKeyRMEYDWKSOWWOAO-UHFFFAOYSA-N
MW358.11 g/mol
LogP1.84
Rot. Bonds6

About 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide

2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide (PubChem CID 102714921) has the molecular formula C11H11BrF3NO4 and a molecular weight of 358.11 g/mol. Its IUPAC name is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide
PubChem CID102714921
Molecular FormulaC11H11BrF3NO4
Molecular Weight358.11 g/mol
Exact Mass356.98
IUPAC Name2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide
SMILESO=C(COc1ccc(OC(F)(F)F)c(Br)c1)NCCO
InChIInChI=1S/C11H11BrF3NO4/c12-8-5-7(19-6-10(18)16-3-4-17)1-2-9(8)20-11(13,14)15/h1-2,5,17H,3-4,6H2,(H,16,18)
InChIKeyRMEYDWKSOWWOAO-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
4-[3-bromo-4-(trifluoromethoxy)phenoxy]butanoic acid
CID 102714204
2-[2-bromo-4-(trifluoromethoxy)phenoxy]-N-propan-2-ylacetamide
CID 165412358
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 107342223
2-(5-bromo-2-fluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 114675145
2-[3-bromo-4-(trifluoromethoxy)anilino]-N-propylacetamide
CID 107336196
N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 43509908
N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide
CID 134394160
2-(4-bromo-3-fluorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 63999855
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
2-bromo-4-heptoxy-1-(trifluoromethoxy)benzene
CID 102714644

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide (CID 102714921) is 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide is O=C(COc1ccc(OC(F)(F)F)c(Br)c1)NCCO.
What is the InChIKey of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide?
The InChIKey is RMEYDWKSOWWOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO4/c12-8-5-7(19-6-10(18)16-3-4-17)1-2-9(8)20-11(13,14)15/h1-2,5,17H,3-4,6H2,(H,16,18).
What are the key properties of 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide?
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide has a molecular weight of 358.11 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 102714921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).