2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide

C17H20BrNO3 — CID 7721428

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccco1
InChIInChI=1S/C17H20BrNO3/c1-17(2,3)14-9-12(18)6-7-15(14)22-11-16(20)19-10-13-5-4-8-21-13/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyHOPCKXYYJZKLPS-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 7721428) has the molecular formula C17H20BrNO3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID7721428
Molecular FormulaC17H20BrNO3
Molecular Weight366.26 g/mol
Exact Mass365.06
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccco1
InChIInChI=1S/C17H20BrNO3/c1-17(2,3)14-9-12(18)6-7-15(14)22-11-16(20)19-10-13-5-4-8-21-13/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyHOPCKXYYJZKLPS-UHFFFAOYSA-N
XLogP4.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638470
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
2-(2,4-dibromophenoxy)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2632700
2-(3-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 51141583
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 1190323
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(4-bromo-2-tert-butylphenoxy)acetate
CID 19180088
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide (CID 7721428) is 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NCc1ccco1.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HOPCKXYYJZKLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c1-17(2,3)14-9-12(18)6-7-15(14)22-11-16(20)19-10-13-5-4-8-21-13/h4-9H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 366.26 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 7721428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).