N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide

C17H18BrNO2 — CID 80633118

IUPACN-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C17H18BrNO2/c18-11-12-19(13-15-7-3-1-4-8-15)17(20)14-21-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHPGOOWYVKRDJRH-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.49
Rot. Bonds7

About N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide

N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide (PubChem CID 80633118) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
PubChem CID80633118
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N(CCBr)Cc1ccccc1
InChIInChI=1S/C17H18BrNO2/c18-11-12-19(13-15-7-3-1-4-8-15)17(20)14-21-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyHPGOOWYVKRDJRH-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017
3-[4-[2-[benzyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
CID 142845017
N-(3-aminopropyl)-N-benzyl-2-(4-chlorophenoxy)acetamide
CID 120649279
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propylacetamide
CID 30586947
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
2-(3-acetamidophenoxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7698005
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide (CID 80633118) is N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide?
The InChIKey is HPGOOWYVKRDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-11-12-19(13-15-7-3-1-4-8-15)17(20)14-21-16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide?
N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide has a molecular weight of 348.24 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)-2-phenoxyacetamide is sourced from PubChem (CID 80633118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).