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

C20H22BrNO3 — CID 7721081

IUPACN-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1
InChIInChI=1S/C20H22BrNO3/c1-13(23)14-5-8-16(9-6-14)22-19(24)12-25-18-10-7-15(21)11-17(18)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyAPFAEUVCIQOVOO-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.97
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide (PubChem CID 7721081) has the molecular formula C20H22BrNO3 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
PubChem CID7721081
Molecular FormulaC20H22BrNO3
Molecular Weight404.30 g/mol
Exact Mass403.08
IUPAC NameN-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1
InChIInChI=1S/C20H22BrNO3/c1-13(23)14-5-8-16(9-6-14)22-19(24)12-25-18-10-7-15(21)11-17(18)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyAPFAEUVCIQOVOO-UHFFFAOYSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
butyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19166259
3-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzamide
CID 26160615
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638470
2-(4-bromo-2-tert-butylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 17051609
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide (CID 7721081) is N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide is CC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The InChIKey is APFAEUVCIQOVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO3/c1-13(23)14-5-8-16(9-6-14)22-19(24)12-25-18-10-7-15(21)11-17(18)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide?
N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide has a molecular weight of 404.30 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide is sourced from PubChem (CID 7721081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).