N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide

C15H20BrF2NO — CID 106145428

IUPACN-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
SMILESCC(C)(CCCBr)CNC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H20BrF2NO/c1-15(2,7-4-8-16)10-19-14(20)9-11-12(17)5-3-6-13(11)18/h3,5-6H,4,7-10H2,1-2H3,(H,19,20)
InChIKeyIWJRKRYLKUVZEF-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.82
Rot. Bonds7

About N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide

N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide (PubChem CID 106145428) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
PubChem CID106145428
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
SMILESCC(C)(CCCBr)CNC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H20BrF2NO/c1-15(2,7-4-8-16)10-19-14(20)9-11-12(17)5-3-6-13(11)18/h3,5-6H,4,7-10H2,1-2H3,(H,19,20)
InChIKeyIWJRKRYLKUVZEF-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-2-(2,3-difluorophenyl)acetamide
CID 106144164
N-(5-bromo-2,2-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 106145359
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
CID 106145101
2-(2,3-difluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103824976
N-(5-bromo-2,2-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 106145651
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(5-bromo-2,2-dimethylpentyl)-2,4-difluoro-5-methylbenzamide
CID 106145115
2-bromo-N-(5-bromo-2,2-dimethylpentyl)-5-fluorobenzamide
CID 114149717
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
4-bromo-N-(5-bromo-2,2-dimethylpentyl)benzamide
CID 114149699
N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 107156403

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide (CID 106145428) is N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide is CC(C)(CCCBr)CNC(=O)Cc1c(F)cccc1F.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
The InChIKey is IWJRKRYLKUVZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-15(2,7-4-8-16)10-19-14(20)9-11-12(17)5-3-6-13(11)18/h3,5-6H,4,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide has a molecular weight of 348.23 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 106145428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).