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

N-[1-(2-bromophenyl)propan-2-yl]-2-ethoxyacetamide
CID 71919199
2-Methoxy-N-((1R)-1-phenylethyl)acetamide
CID 835321
N-benzyl-2-methoxyacetamide
CID 836024
Ethyl [(1-methyl-3-phenylpropyl)amino](oxo)acetate
CID 2916380
2-methoxy-N-(1-phenylethyl)acetamide
CID 4308652
N-[(3-bromophenyl)methyl]-2-methoxyacetamide
CID 56829070
n-(1-(3-Bromophenyl)ethyl)-2-methoxyacetamide
CID 45874390
N-benzyl-2-(2-methylpropoxy)propanamide
CID 47030999
N-[1-(4-bromophenyl)propan-2-yl]-2-methoxyacetamide
CID 47036510
N-[1-(3-bromophenyl)propan-2-yl]-2-methoxyacetamide
CID 48149938
2-[2-[2-oxo-2-(2-phenylethylamino)ethoxy]ethoxy]-N-(2-phenylethyl)acetamide
CID 90679977
2-ethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 81349816

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).