2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide

C17H18BrNO3 — CID 1101341

IUPAC2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C17H18BrNO3/c1-12-9-14(7-8-15(12)18)22-11-17(20)19-10-13-5-3-4-6-16(13)21-2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyBSIRGAYHQVHJKJ-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide

2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 1101341) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID1101341
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)COc1ccc(Br)c(C)c1
InChIInChI=1S/C17H18BrNO3/c1-12-9-14(7-8-15(12)18)22-11-17(20)19-10-13-5-3-4-6-16(13)21-2/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyBSIRGAYHQVHJKJ-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide (CID 1101341) is 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)COc1ccc(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is BSIRGAYHQVHJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-12-9-14(7-8-15(12)18)22-11-17(20)19-10-13-5-3-4-6-16(13)21-2/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 1101341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).