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

C18H20BrNO3 — CID 164545171

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H20BrNO3/c1-18(2,3)15-10-12(19)4-9-16(15)23-11-17(22)20-13-5-7-14(21)8-6-13/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyXFAMLGSGBWCTSL-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.47
Rot. Bonds4

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

2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide (PubChem CID 164545171) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
PubChem CID164545171
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C18H20BrNO3/c1-18(2,3)15-10-12(19)4-9-16(15)23-11-17(22)20-13-5-7-14(21)8-6-13/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyXFAMLGSGBWCTSL-UHFFFAOYSA-N
XLogP4.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.47
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
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
3-(5-bromo-2-methoxyphenyl)-N-(4-methoxyphenyl)acrylamide
CID 1344312
2-[4-bromo-2-({[3-(4-morpholinyl)propyl]amino}methyl)phenoxy]-N-phenylacetamide
CID 9540952
N-[4-(acetylamino)phenyl]-2-(4-bromo-2,6-dimethylphenoxy)acetamide
CID 1299320
2-{4-bromo-2-[(cyclopentylamino)methyl]phenoxy}-N-(2-methoxyphenyl)acetamide
CID 979929
N-[4-(acetylamino)phenyl]-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013849
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 1248222

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide (CID 164545171) is 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
The InChIKey is XFAMLGSGBWCTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-18(2,3)15-10-12(19)4-9-16(15)23-11-17(22)20-13-5-7-14(21)8-6-13/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 164545171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).