2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide

C18H19Br2NO3 — CID 164545163

IUPAC2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H19Br2NO3/c1-18(2,3)14-8-11(19)9-15(20)17(14)24-10-16(23)21-12-4-6-13(22)7-5-12/h4-9,22H,10H2,1-3H3,(H,21,23)
InChIKeyBIXLJDFZLSXYOD-UHFFFAOYSA-N
MW457.16 g/mol
LogP5.23
Rot. Bonds4

About 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide

2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide (PubChem CID 164545163) has the molecular formula C18H19Br2NO3 and a molecular weight of 457.16 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
PubChem CID164545163
Molecular FormulaC18H19Br2NO3
Molecular Weight457.16 g/mol
Exact Mass454.97
IUPAC Name2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H19Br2NO3/c1-18(2,3)14-8-11(19)9-15(20)17(14)24-10-16(23)21-12-4-6-13(22)7-5-12/h4-9,22H,10H2,1-3H3,(H,21,23)
InChIKeyBIXLJDFZLSXYOD-UHFFFAOYSA-N
XLogP5.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.16
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(2-(tert-Butyl)phenoxy)-N-(4-hydroxyphenyl)acetamide
CID 2975850
N-[3,5-Dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)-phenyl]-oxalamic acid
CID 9826109
Nampt activator-3
CID 164545187
2-(4-bromo-2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 803111
2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 803500
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide
CID 972563
N-{4-[acetyl(methyl)amino]phenyl}-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013859
N-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]propanamide
CID 127050521
N-[4-(acetylamino)phenyl]-2-(4-bromo-2,6-dimethylphenoxy)acetamide
CID 1299320
N-[4-(acetylamino)phenyl]-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013849
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 1248222
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 1254681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide (CID 164545163) is 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide is CC(C)(C)c1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The InChIKey is BIXLJDFZLSXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO3/c1-18(2,3)14-8-11(19)9-15(20)17(14)24-10-16(23)21-12-4-6-13(22)7-5-12/h4-9,22H,10H2,1-3H3,(H,21,23).
What are the key properties of 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide has a molecular weight of 457.16 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 164545163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).