2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide

C21H26BrNO2 — CID 132662181

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)COc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C21H26BrNO2/c1-13(2)17-8-9-20(19(22)11-17)25-12-21(24)23-16(5)18-10-14(3)6-7-15(18)4/h6-11,13,16H,12H2,1-5H3,(H,23,24)
InChIKeyUOFJZDSPHUDKSX-UHFFFAOYSA-N
MW404.35 g/mol
LogP5.45
Rot. Bonds6

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 132662181) has the molecular formula C21H26BrNO2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID132662181
Molecular FormulaC21H26BrNO2
Molecular Weight404.35 g/mol
Exact Mass403.11
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)COc2ccc(C(C)C)cc2Br)c1
InChIInChI=1S/C21H26BrNO2/c1-13(2)17-8-9-20(19(22)11-17)25-12-21(24)23-16(5)18-10-14(3)6-7-15(18)4/h6-11,13,16H,12H2,1-5H3,(H,23,24)
InChIKeyUOFJZDSPHUDKSX-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
2-(2,5-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327488
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(2-bromo-4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43876879
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
2-(2-bromo-4-ethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43875399
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262782
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989
2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide (CID 132662181) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c(C(C)NC(=O)COc2ccc(C(C)C)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is UOFJZDSPHUDKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO2/c1-13(2)17-8-9-20(19(22)11-17)25-12-21(24)23-16(5)18-10-14(3)6-7-15(18)4/h6-11,13,16H,12H2,1-5H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 404.35 g/mol, XLogP of 5.45, 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-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 132662181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).