2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide

C15H19BrF3NO — CID 83142426

IUPAC2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)(C)C
InChIInChI=1S/C15H19BrF3NO/c1-9(14(2,3)4)8-20-13(21)11-7-10(15(17,18)19)5-6-12(11)16/h5-7,9H,8H2,1-4H3,(H,20,21)
InChIKeyYDMRJIBIOOGQFI-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.88
Rot. Bonds3

About 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide

2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide (PubChem CID 83142426) has the molecular formula C15H19BrF3NO and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
PubChem CID83142426
Molecular FormulaC15H19BrF3NO
Molecular Weight366.22 g/mol
Exact Mass365.06
IUPAC Name2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide
SMILESCC(CNC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)(C)C
InChIInChI=1S/C15H19BrF3NO/c1-9(14(2,3)4)8-20-13(21)11-7-10(15(17,18)19)5-6-12(11)16/h5-7,9H,8H2,1-4H3,(H,20,21)
InChIKeyYDMRJIBIOOGQFI-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-(2,2-dimethylbutyl)-5-(trifluoromethyl)benzamide
CID 103461931
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
2-bromo-N-(3-methylsulfinylbutyl)-5-(trifluoromethyl)benzamide
CID 115742493
2-bromo-N-[(1-ethylcyclopropyl)methyl]-5-(trifluoromethyl)benzamide
CID 103816659
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
2-bromo-4-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)aniline
CID 83144259
(2S,3R)-2-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 104965036
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
2-bromo-5-(2,3,3-trimethylbutylcarbamoyl)benzenesulfonyl chloride
CID 83145232

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide?
The IUPAC name of 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide (CID 83142426) is 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide is CC(CNC(=O)c1cc(C(F)(F)F)ccc1Br)C(C)(C)C.
What is the InChIKey of 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide?
The InChIKey is YDMRJIBIOOGQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3NO/c1-9(14(2,3)4)8-20-13(21)11-7-10(15(17,18)19)5-6-12(11)16/h5-7,9H,8H2,1-4H3,(H,20,21).
What are the key properties of 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide?
2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide has a molecular weight of 366.22 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)benzamide is sourced from PubChem (CID 83142426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).