2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide

C14H20BrNO3 — CID 102948305

IUPAC2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide
SMILESCC(O)c1ccc(Br)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C14H20BrNO3/c1-9(17)11-6-5-10(15)7-12(11)19-8-13(18)16-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,16,18)
InChIKeyKGIWSWXTUBELPT-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.80
Rot. Bonds4

About 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide

2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide (PubChem CID 102948305) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide
PubChem CID102948305
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide
SMILESCC(O)c1ccc(Br)cc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C14H20BrNO3/c1-9(17)11-6-5-10(15)7-12(11)19-8-13(18)16-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,16,18)
InChIKeyKGIWSWXTUBELPT-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 102948707
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 102948484
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053907
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1S)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanol
CID 102948938
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002849
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002921
1-(azepan-1-yl)-2-[5-bromo-2-(1-hydroxyethyl)phenoxy]ethanone
CID 102948266

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide?
The IUPAC name of 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide (CID 102948305) is 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide is CC(O)c1ccc(Br)cc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide?
The InChIKey is KGIWSWXTUBELPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-9(17)11-6-5-10(15)7-12(11)19-8-13(18)16-14(2,3)4/h5-7,9,17H,8H2,1-4H3,(H,16,18).
What are the key properties of 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide?
2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide has a molecular weight of 330.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(1-hydroxyethyl)phenoxy]-N-tert-butylacetamide is sourced from PubChem (CID 102948305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).