N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide

C13H18BrNO2 — CID 114316131

IUPACN-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
SMILESCC(C)C(CBr)NC(=O)COc1ccccc1
InChIInChI=1S/C13H18BrNO2/c1-10(2)12(8-14)15-13(16)9-17-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyHRQXTIJSBAOXIC-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.60
Rot. Bonds6

About N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide

N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide (PubChem CID 114316131) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
PubChem CID114316131
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
SMILESCC(C)C(CBr)NC(=O)COc1ccccc1
InChIInChI=1S/C13H18BrNO2/c1-10(2)12(8-14)15-13(16)9-17-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyHRQXTIJSBAOXIC-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 106355216
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-phenylbutan-2-yl]acetamide
CID 95185642
2-(4-chlorophenoxy)-N-(3-methyl-1-phenylbutan-2-yl)acetamide
CID 53338213
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
CID 10891430
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide (CID 114316131) is N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide is CC(C)C(CBr)NC(=O)COc1ccccc1.
What is the InChIKey of N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide?
The InChIKey is HRQXTIJSBAOXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-10(2)12(8-14)15-13(16)9-17-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide?
N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 114316131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).