2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide

C12H15BrClNO2 — CID 885870

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-8(2)6-15-12(16)7-17-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyPYOWFAOPKXDCTG-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 885870) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID885870
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-8(2)6-15-12(16)7-17-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyPYOWFAOPKXDCTG-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.25
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-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide (CID 885870) is 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is PYOWFAOPKXDCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-8(2)6-15-12(16)7-17-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 320.61 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 885870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).