2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide

C11H11BrF3NO — CID 155906671

IUPAC2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide
SMILESCC(C)NC(=O)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-6(2)16-10(17)9-7(11(13,14)15)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17)
InChIKeyPHXKTFJAPOXPMD-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide

2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide (PubChem CID 155906671) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide
PubChem CID155906671
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide
SMILESCC(C)NC(=O)c1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C11H11BrF3NO/c1-6(2)16-10(17)9-7(11(13,14)15)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17)
InChIKeyPHXKTFJAPOXPMD-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-bromo-6-(trifluoromethyl)benzoate
CID 46311085
2-amino-1-[2-bromo-6-(trifluoromethyl)phenyl]ethanone
CID 117452873
[2,6-bis(trifluoromethyl)phenyl]-[(2,6-dibromobenzoyl)-phenylphosphoryl]methanone
CID 18515048
2-bromo-N-(1,1-dimethoxypropan-2-yl)-6-fluorobenzamide
CID 114559290
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2-bromo-6-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 103733626
methyl 2-methylsulfanyl-6-(trifluoromethyl)benzoate
CID 91880964
2-bromo-1-[2-iodo-6-(trifluoromethyl)phenyl]propan-1-one
CID 119002701
propan-2-yl 2-methyl-6-(trifluoromethyl)benzoate
CID 150068549
2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 130618692

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide (CID 155906671) is 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide is CC(C)NC(=O)c1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide?
The InChIKey is PHXKTFJAPOXPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-6(2)16-10(17)9-7(11(13,14)15)4-3-5-8(9)12/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide?
2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide has a molecular weight of 310.11 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propan-2-yl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 155906671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).