2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide

C14H17BrF3NO — CID 103461931

IUPAC2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H17BrF3NO/c1-4-13(2,3)8-19-12(20)10-7-9(14(16,17)18)5-6-11(10)15/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyKXQVVXUEBYKEBZ-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.63
Rot. Bonds4

About 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide

2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide (PubChem CID 103461931) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
PubChem CID103461931
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C14H17BrF3NO/c1-4-13(2,3)8-19-12(20)10-7-9(14(16,17)18)5-6-11(10)15/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyKXQVVXUEBYKEBZ-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
CID 83142426
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
methyl 2-bromo-3-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 103492494
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-5-(trifluoromethyl)benzamide
CID 115455978
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 70098587
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
2-bromo-N-(3-methylsulfinylbutyl)-5-(trifluoromethyl)benzamide
CID 115742493
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide (CID 103461931) is 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide is CCC(C)(C)CNC(=O)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide?
The InChIKey is KXQVVXUEBYKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-4-13(2,3)8-19-12(20)10-7-9(14(16,17)18)5-6-11(10)15/h5-7H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide?
2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide has a molecular weight of 352.19 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103461931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).