2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide

C21H26BrNO2 — CID 100539021

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide
SMILESCCc1ccc(CC)c(CNC(=O)COc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C21H26BrNO2/c1-5-16-7-8-17(6-2)18(11-16)12-23-20(24)13-25-19-9-14(3)21(22)15(4)10-19/h7-11H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKeyLXAPFVRYOFSVJZ-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.89
Rot. Bonds7

About 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide (PubChem CID 100539021) has the molecular formula C21H26BrNO2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide
PubChem CID100539021
Molecular FormulaC21H26BrNO2
Molecular Weight404.35 g/mol
Exact Mass403.11
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide
SMILESCCc1ccc(CC)c(CNC(=O)COc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C21H26BrNO2/c1-5-16-7-8-17(6-2)18(11-16)12-23-20(24)13-25-19-9-14(3)21(22)15(4)10-19/h7-11H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKeyLXAPFVRYOFSVJZ-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767841
2-(4-bromo-3,5-dimethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 99971728
N-[(2,5-diethylphenyl)methyl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 100517226
1-(4-bromo-3,5-dimethylphenoxy)-3-(4-fluorophenyl)propan-2-one
CID 107725192
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(4-bromo-3,5-dimethylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 3164371
2-(4-bromo-2,3,5-trimethylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 5039239
diethyl 5-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917434
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 1329159
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide (CID 100539021) is 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide is CCc1ccc(CC)c(CNC(=O)COc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide?
The InChIKey is LXAPFVRYOFSVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO2/c1-5-16-7-8-17(6-2)18(11-16)12-23-20(24)13-25-19-9-14(3)21(22)15(4)10-19/h7-11H,5-6,12-13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide has a molecular weight of 404.35 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-[(2,5-diethylphenyl)methyl]acetamide is sourced from PubChem (CID 100539021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).