2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide

C14H20BrNO2 — CID 803348

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)C)cc(C)c1Br
InChIInChI=1S/C14H20BrNO2/c1-9(2)7-16-13(17)8-18-12-5-10(3)14(15)11(4)6-12/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyNUGKASIDSMFRBA-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 803348) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID803348
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)C)cc(C)c1Br
InChIInChI=1S/C14H20BrNO2/c1-9(2)7-16-13(17)8-18-12-5-10(3)14(15)11(4)6-12/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyNUGKASIDSMFRBA-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide (CID 803348) is 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide is Cc1cc(OCC(=O)NCC(C)C)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is NUGKASIDSMFRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(2)7-16-13(17)8-18-12-5-10(3)14(15)11(4)6-12/h5-6,9H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 803348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).