2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide

C18H20BrNO3 — CID 55861535

IUPAC2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccccc1CN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-22-17-7-5-4-6-14(17)12-20(2)18(21)13-23-16-10-8-15(19)9-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyRWAQKKCHRVQCQF-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.89
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide

2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 55861535) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
PubChem CID55861535
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
SMILESCCOc1ccccc1CN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-3-22-17-7-5-4-6-14(17)12-20(2)18(21)13-23-16-10-8-15(19)9-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyRWAQKKCHRVQCQF-UHFFFAOYSA-N
XLogP3.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-(4-benzoylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560002
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 84601844
2-(5-bromo-2-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 112828375
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
2-(2-bromophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112777998
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide (CID 55861535) is 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide is CCOc1ccccc1CN(C)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is RWAQKKCHRVQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-3-22-17-7-5-4-6-14(17)12-20(2)18(21)13-23-16-10-8-15(19)9-11-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide?
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 378.27 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55861535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).