2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide

C18H20BrNO2 — CID 2942651

IUPAC2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
SMILESCCc1ccc(OCC(=O)NC(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-3-14-9-10-17(16(19)11-14)22-12-18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyJMQBNLOFNSXYCK-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide

2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide (PubChem CID 2942651) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
PubChem CID2942651
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
SMILESCCc1ccc(OCC(=O)NC(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C18H20BrNO2/c1-3-14-9-10-17(16(19)11-14)22-12-18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyJMQBNLOFNSXYCK-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28577029
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43875399
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
CID 833491
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-(2-bromo-4-ethylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 46764494
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(1-phenylethyl)acetamide
CID 2792510

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide (CID 2942651) is 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide is CCc1ccc(OCC(=O)NC(C)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide?
The InChIKey is JMQBNLOFNSXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-14-9-10-17(16(19)11-14)22-12-18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide?
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide has a molecular weight of 362.27 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2942651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).