2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

C17H18BrNO3 — CID 113099769

IUPAC2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)Cc1ccccc1Br
InChIInChI=1S/C17H18BrNO3/c1-21-15-8-4-5-9-16(15)22-11-10-19-17(20)12-13-6-2-3-7-14(13)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyJJRBMXIBTOXIRK-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.20
Rot. Bonds7

About 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide

2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide (PubChem CID 113099769) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
PubChem CID113099769
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccccc1OCCNC(=O)Cc1ccccc1Br
InChIInChI=1S/C17H18BrNO3/c1-21-15-8-4-5-9-16(15)22-11-10-19-17(20)12-13-6-2-3-7-14(13)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyJJRBMXIBTOXIRK-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
2-(2-bromophenyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
CID 113099511
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515
N-[2-(2-methoxyphenoxy)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791050
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
methyl 3-bromo-4-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 36942712

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide (CID 113099769) is 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide is COc1ccccc1OCCNC(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
The InChIKey is JJRBMXIBTOXIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-21-15-8-4-5-9-16(15)22-11-10-19-17(20)12-13-6-2-3-7-14(13)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide?
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 113099769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).