2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide

C13H18BrNO2 — CID 803318

IUPAC2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C13H18BrNO2/c1-9-7-10(14)5-6-11(9)17-8-12(16)15-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyPEFIHROUWOTKRC-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide

2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide (PubChem CID 803318) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide
PubChem CID803318
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C13H18BrNO2/c1-9-7-10(14)5-6-11(9)17-8-12(16)15-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyPEFIHROUWOTKRC-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.05
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-tert-butylacetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide (CID 803318) is 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide is Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide?
The InChIKey is PEFIHROUWOTKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9-7-10(14)5-6-11(9)17-8-12(16)15-13(2,3)4/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide?
2-(4-bromo-2-methylphenoxy)-N-tert-butylacetamide has a molecular weight of 300.20 g/mol, XLogP of 3.05, 3 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-tert-butylacetamide is sourced from PubChem (CID 803318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).