N-(2-bromo-2-phenylethyl)-2-propoxyacetamide

C13H18BrNO2 — CID 107941226

IUPACN-(2-bromo-2-phenylethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C13H18BrNO2/c1-2-8-17-10-13(16)15-9-12(14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)
InChIKeyHQMISCFOXQWCSG-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.67
Rot. Bonds7

About N-(2-bromo-2-phenylethyl)-2-propoxyacetamide

N-(2-bromo-2-phenylethyl)-2-propoxyacetamide (PubChem CID 107941226) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(2-bromo-2-phenylethyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(2-bromo-2-phenylethyl)-2-propoxyacetamide
PubChem CID107941226
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-(2-bromo-2-phenylethyl)-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(Br)c1ccccc1
InChIInChI=1S/C13H18BrNO2/c1-2-8-17-10-13(16)15-9-12(14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16)
InChIKeyHQMISCFOXQWCSG-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-(2-aminoethoxy)-N-(2-phenylpropyl)acetamide
CID 79479633
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
CID 119526031
N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
CID 114308227
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
N-(2-bromo-2-phenylethyl)-3-(3-methylphenyl)propanamide
CID 114308268
2-benzyl-3-[(2-butoxyacetyl)amino]propanoic acid
CID 119233668
N-(2,3-dihydroxypropyl)-2-propoxyacetamide
CID 107939672
N-[2-(methylamino)propyl]-2-propoxyacetamide
CID 107938536
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-phenylethyl)-2-propoxyacetamide?
The IUPAC name of N-(2-bromo-2-phenylethyl)-2-propoxyacetamide (CID 107941226) is N-(2-bromo-2-phenylethyl)-2-propoxyacetamide.
What is the SMILES notation for N-(2-bromo-2-phenylethyl)-2-propoxyacetamide?
The canonical SMILES for N-(2-bromo-2-phenylethyl)-2-propoxyacetamide is CCCOCC(=O)NCC(Br)c1ccccc1.
What is the InChIKey of N-(2-bromo-2-phenylethyl)-2-propoxyacetamide?
The InChIKey is HQMISCFOXQWCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-8-17-10-13(16)15-9-12(14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,16).
What are the key properties of N-(2-bromo-2-phenylethyl)-2-propoxyacetamide?
N-(2-bromo-2-phenylethyl)-2-propoxyacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-phenylethyl)-2-propoxyacetamide is sourced from PubChem (CID 107941226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).