N-(4-bromobutan-2-yl)-2-phenoxyacetamide

C12H16BrNO2 — CID 83180352

IUPACN-(4-bromobutan-2-yl)-2-phenoxyacetamide
SMILESCC(CCBr)NC(=O)COc1ccccc1
InChIInChI=1S/C12H16BrNO2/c1-10(7-8-13)14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)
InChIKeyRTQFPOJWACBHHF-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.36
Rot. Bonds6

About N-(4-bromobutan-2-yl)-2-phenoxyacetamide

N-(4-bromobutan-2-yl)-2-phenoxyacetamide (PubChem CID 83180352) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)-2-phenoxyacetamide
PubChem CID83180352
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(4-bromobutan-2-yl)-2-phenoxyacetamide
SMILESCC(CCBr)NC(=O)COc1ccccc1
InChIInChI=1S/C12H16BrNO2/c1-10(7-8-13)14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15)
InChIKeyRTQFPOJWACBHHF-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.36
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-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(4-bromo-2-methylbutyl)-2-phenoxyacetamide
CID 114316800
N-(1-bromo-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 114316131
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
CID 112789363
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-bromobutan-2-yl)-2-phenoxyacetamide (CID 83180352) is N-(4-bromobutan-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-bromobutan-2-yl)-2-phenoxyacetamide is CC(CCBr)NC(=O)COc1ccccc1.
What is the InChIKey of N-(4-bromobutan-2-yl)-2-phenoxyacetamide?
The InChIKey is RTQFPOJWACBHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-10(7-8-13)14-12(15)9-16-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,15).
What are the key properties of N-(4-bromobutan-2-yl)-2-phenoxyacetamide?
N-(4-bromobutan-2-yl)-2-phenoxyacetamide has a molecular weight of 286.17 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 83180352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).