2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide

C16H16BrNO2 — CID 803500

IUPAC2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-3-6-14(7-4-11)18-16(19)10-20-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyOAAABVNILXJVEE-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide

2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide (PubChem CID 803500) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
PubChem CID803500
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H16BrNO2/c1-11-3-6-14(7-4-11)18-16(19)10-20-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyOAAABVNILXJVEE-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide (CID 803500) is 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide?
The InChIKey is OAAABVNILXJVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11-3-6-14(7-4-11)18-16(19)10-20-15-8-5-13(17)9-12(15)2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide?
2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide has a molecular weight of 334.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 803500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).