2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide

C13H18BrNO2 — CID 848197

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(OCC(=O)NC(C)C)cc(C)c1Br
InChIInChI=1S/C13H18BrNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyYFVDZIKQSOVNTQ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.97
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide (PubChem CID 848197) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide
PubChem CID848197
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide
SMILESCc1cc(OCC(=O)NC(C)C)cc(C)c1Br
InChIInChI=1S/C13H18BrNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16)
InChIKeyYFVDZIKQSOVNTQ-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
CID 803345
2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 803237
2-(4-bromo-3-methylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1101341
2-(4-bromo-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1369516
2-(4-bromo-3,5-dimethylphenoxy)-N-ethylacetamide
CID 803209
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)acetamide
CID 803348
2-(4-bromo-3-methylphenoxy)-N-[2-(4-morpholinyl)ethyl]acetamide
CID 1287636
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 1328862
2-(4-bromo-2,5-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 2233461
2-(4-bromo-3,5-dimethylphenoxy)-N-[3-(dimethylamino)propyl]acetamide
CID 2299889
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
Acetamide, 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-(diethylamino)ethyl)-, monohydrochloride
CID 55537

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide (CID 848197) is 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide is Cc1cc(OCC(=O)NC(C)C)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is YFVDZIKQSOVNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.97, 4 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-propan-2-ylacetamide is sourced from PubChem (CID 848197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).