2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C18H20BrNO3 — CID 1328823

IUPAC2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H20BrNO3/c1-13-11-15(19)5-8-17(13)23-12-18(21)20-10-9-14-3-6-16(22-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyBRJSKJZFGLGLIV-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.50
Rot. Bonds7

About 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 1328823) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID1328823
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H20BrNO3/c1-13-11-15(19)5-8-17(13)23-12-18(21)20-10-9-14-3-6-16(22-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyBRJSKJZFGLGLIV-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 1328823) is 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COc2ccc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is BRJSKJZFGLGLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13-11-15(19)5-8-17(13)23-12-18(21)20-10-9-14-3-6-16(22-2)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 1328823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).