2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide

C15H22BrNO2 — CID 112789363

IUPAC2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2/c1-11(2)4-5-12(3)17-15(18)10-19-14-8-6-13(16)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyZDBRIMAJSXQIDW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.77
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide

2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 112789363) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
PubChem CID112789363
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H22BrNO2/c1-11(2)4-5-12(3)17-15(18)10-19-14-8-6-13(16)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyZDBRIMAJSXQIDW-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702
2-(4-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941084

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide (CID 112789363) is 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is ZDBRIMAJSXQIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11(2)4-5-12(3)17-15(18)10-19-14-8-6-13(16)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide?
2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 328.25 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 112789363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).