N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide

C13H18BrNO2 — CID 114316800

IUPACN-(4-bromo-2-methylbutyl)-2-phenoxyacetamide
SMILESCC(CCBr)CNC(=O)COc1ccccc1
InChIInChI=1S/C13H18BrNO2/c1-11(7-8-14)9-15-13(16)10-17-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,16)
InChIKeyDHDWVNAEMSZBNG-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.60
Rot. Bonds7

About N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide

N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide (PubChem CID 114316800) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)-2-phenoxyacetamide
PubChem CID114316800
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(4-bromo-2-methylbutyl)-2-phenoxyacetamide
SMILESCC(CCBr)CNC(=O)COc1ccccc1
InChIInChI=1S/C13H18BrNO2/c1-11(7-8-14)9-15-13(16)10-17-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,16)
InChIKeyDHDWVNAEMSZBNG-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
N-(1-bromo-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 106355216
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(2-ethylbutyl)-2-phenoxyacetamide
CID 115612512
methyl 2-bromo-3-[(2-phenoxyacetyl)amino]propanoate
CID 103492482
N-[2-(diethylamino)propyl]-2-(4-phenoxyphenoxy)acetamide
CID 46433016
N-(4-chloro-2-methylbutyl)-2-(3-chlorophenoxy)acetamide
CID 114306028
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 114316131

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide (CID 114316800) is N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide is CC(CCBr)CNC(=O)COc1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide?
The InChIKey is DHDWVNAEMSZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-11(7-8-14)9-15-13(16)10-17-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide?
N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide is sourced from PubChem (CID 114316800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).