N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide

C15H20BrF2NO — CID 107156403

IUPACN-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
SMILESCC(C)(C)CC(Br)CNC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H20BrF2NO/c1-15(2,3)8-10(16)9-19-14(20)7-11-12(17)5-4-6-13(11)18/h4-6,10H,7-9H2,1-3H3,(H,19,20)
InChIKeyHPLATUVYVSVVGI-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.82
Rot. Bonds5

About N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide

N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide (PubChem CID 107156403) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
PubChem CID107156403
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC NameN-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
SMILESCC(C)(C)CC(Br)CNC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H20BrF2NO/c1-15(2,3)8-10(16)9-19-14(20)7-11-12(17)5-4-6-13(11)18/h4-6,10H,7-9H2,1-3H3,(H,19,20)
InChIKeyHPLATUVYVSVVGI-UHFFFAOYSA-N
XLogP3.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-(2-bromo-4,4-dimethylpentyl)-2-(3,4-dimethylphenyl)acetamide
CID 107156584
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
N-(2-bromo-4,4-dimethylpentyl)-3-phenylpropanamide
CID 107156726
4-bromo-N-(2-bromo-4,4-dimethylpentyl)-2-fluorobenzamide
CID 107156635
N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
N-(2-bromo-4,4-dimethylpentyl)thiophene-2-carboxamide
CID 107156721
N-(5-bromo-2,2-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106145428
N-(2-bromo-4,4-dimethylpentyl)thiadiazole-4-carboxamide
CID 107156631
N-(2-bromo-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107729126
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
N-(2-bromo-4,4-dimethylpentyl)-3-fluoro-5-methylbenzamide
CID 107156586

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide (CID 107156403) is N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide is CC(C)(C)CC(Br)CNC(=O)Cc1c(F)cccc1F.
What is the InChIKey of N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
The InChIKey is HPLATUVYVSVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-15(2,3)8-10(16)9-19-14(20)7-11-12(17)5-4-6-13(11)18/h4-6,10H,7-9H2,1-3H3,(H,19,20).
What are the key properties of N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide?
N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide has a molecular weight of 348.23 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 107156403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).