N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide

C12H16BrFN2O2 — CID 119523767

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESCC(C)(CN)NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O2/c1-12(2,7-15)16-11(17)6-18-10-4-3-8(13)5-9(10)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyJUEUQVUMAWEAGG-UHFFFAOYSA-N
MW319.17 g/mol
LogP1.82
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide

N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide (PubChem CID 119523767) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
PubChem CID119523767
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESCC(C)(CN)NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O2/c1-12(2,7-15)16-11(17)6-18-10-4-3-8(13)5-9(10)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyJUEUQVUMAWEAGG-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 62521032
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
3-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 64672095
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
N-(1-amino-2-methylpropan-2-yl)-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 119523608
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide (CID 119523767) is N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide is CC(C)(CN)NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The InChIKey is JUEUQVUMAWEAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-12(2,7-15)16-11(17)6-18-10-4-3-8(13)5-9(10)14/h3-5H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide has a molecular weight of 319.17 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide is sourced from PubChem (CID 119523767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).