2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide

C18H20BrNO2 — CID 17326940

IUPAC2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)COc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-3-14-8-10-15(11-9-14)13(2)20-18(21)12-22-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeySJGYTMPIFVMWEM-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide

2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 17326940) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID17326940
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)COc2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO2/c1-3-14-8-10-15(11-9-14)13(2)20-18(21)12-22-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeySJGYTMPIFVMWEM-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-fluorophenyl)ethyl]acetamide
CID 42980776
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7695014
N-[1-(4-ethylphenyl)ethyl]-2-phenoxyacetamide
CID 17326821
2-(2-bromophenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7466805
2-(2,3-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326921
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-bromobenzoate
CID 7775245
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
2-(2-bromo-4-ethylphenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28577029
2-(4-ethylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561038
2-(4-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 26561037
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17327092

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 17326940) is 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)COc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is SJGYTMPIFVMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-14-8-10-15(11-9-14)13(2)20-18(21)12-22-17-7-5-4-6-16(17)19/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]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-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 17326940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).