4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C12H8BrF6NO — CID 103808061

IUPAC4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H8BrF6NO/c13-8-2-1-6(5-7(8)11(14,15)16)9(21)20-10(3-4-10)12(17,18)19/h1-2,5H,3-4H2,(H,20,21)
InChIKeyCVSNQJXERWXBMD-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.29
Rot. Bonds2

About 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide

4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 103808061) has the molecular formula C12H8BrF6NO and a molecular weight of 376.09 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID103808061
Molecular FormulaC12H8BrF6NO
Molecular Weight376.09 g/mol
Exact Mass374.97
IUPAC Name4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H8BrF6NO/c13-8-2-1-6(5-7(8)11(14,15)16)9(21)20-10(3-4-10)12(17,18)19/h1-2,5H,3-4H2,(H,20,21)
InChIKeyCVSNQJXERWXBMD-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
4-bromo-N-(3-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 115769176
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
CID 103750188
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 103808061) is 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is O=C(NC1(C(F)(F)F)CC1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is CVSNQJXERWXBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF6NO/c13-8-2-1-6(5-7(8)11(14,15)16)9(21)20-10(3-4-10)12(17,18)19/h1-2,5H,3-4H2,(H,20,21).
What are the key properties of 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 376.09 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 103808061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).