2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide

C20H24BrNO2 — CID 19171967

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1
InChIInChI=1S/C20H24BrNO2/c1-5-14-6-9-16(10-7-14)22-19(23)13-24-18-11-8-15(21)12-17(18)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyBYCZWMDKLQWXAL-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.33
Rot. Bonds5

About 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide (PubChem CID 19171967) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
PubChem CID19171967
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1
InChIInChI=1S/C20H24BrNO2/c1-5-14-6-9-16(10-7-14)22-19(23)13-24-18-11-8-15(21)12-17(18)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyBYCZWMDKLQWXAL-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 7707998
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 7721081
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
2-(4-bromo-2-tert-butylphenoxy)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 17051628
N-[3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-chlorophenyl]butanamide
CID 17174600

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide (CID 19171967) is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide?
The InChIKey is BYCZWMDKLQWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-5-14-6-9-16(10-7-14)22-19(23)13-24-18-11-8-15(21)12-17(18)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide has a molecular weight of 390.32 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 19171967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).