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

C17H17BrN2O3 — CID 1013849

IUPACN-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11-9-13(18)3-8-16(11)23-10-17(22)20-15-6-4-14(5-7-15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDLPMXUPLIHZWNK-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.73
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide (PubChem CID 1013849) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
PubChem CID1013849
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C17H17BrN2O3/c1-11-9-13(18)3-8-16(11)23-10-17(22)20-15-6-4-14(5-7-15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDLPMXUPLIHZWNK-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide (CID 1013849) is N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide is CC(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The InChIKey is DLPMXUPLIHZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-9-13(18)3-8-16(11)23-10-17(22)20-15-6-4-14(5-7-15)19-12(2)21/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide has a molecular weight of 377.24 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide is sourced from PubChem (CID 1013849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).