N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide

C18H20BrNO3 — CID 55702572

IUPACN-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC(NC(=O)COCCOc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO3/c1-14(15-6-5-7-16(19)12-15)20-18(21)13-22-10-11-23-17-8-3-2-4-9-17/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)
InChIKeyOBVHUEORXJRLCX-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.72
Rot. Bonds8

About N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide

N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 55702572) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID55702572
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESCC(NC(=O)COCCOc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C18H20BrNO3/c1-14(15-6-5-7-16(19)12-15)20-18(21)13-22-10-11-23-17-8-3-2-4-9-17/h2-9,12,14H,10-11,13H2,1H3,(H,20,21)
InChIKeyOBVHUEORXJRLCX-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.72
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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(3-bromophenoxy)-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 7948924
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 28555896
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N-[1-(3-bromophenyl)ethyl]-2-[4-[(4-bromophenyl)sulfamoyl]phenoxy]acetamide
CID 43873421
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
N-[(1R)-1-(3-bromophenyl)ethyl]-2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]acetamide
CID 28552786

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide (CID 55702572) is N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide is CC(NC(=O)COCCOc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is OBVHUEORXJRLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-14(15-6-5-7-16(19)12-15)20-18(21)13-22-10-11-23-17-8-3-2-4-9-17/h2-9,12,14H,10-11,13H2,1H3,(H,20,21).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 55702572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).