2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide

C14H20BrNO2 — CID 19202796

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C(C)C)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-9(2)11-5-6-13(12(15)7-11)18-8-14(17)16-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeySZVJFUXVLFNGKA-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide (PubChem CID 19202796) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
PubChem CID19202796
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(C(C)C)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-9(2)11-5-6-13(12(15)7-11)18-8-14(17)16-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeySZVJFUXVLFNGKA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)acetamide
CID 894118
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 132662181
2-(2-bromo-4-propan-2-ylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28635212
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191470
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
2-[2-bromo-4-(trifluoromethoxy)phenoxy]-N-propan-2-ylacetamide
CID 165412358
2-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 2194297
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide (CID 19202796) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(C(C)C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
The InChIKey is SZVJFUXVLFNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9(2)11-5-6-13(12(15)7-11)18-8-14(17)16-10(3)4/h5-7,9-10H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide has a molecular weight of 314.22 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 19202796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).