4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide

C11H8BrF6NO — CID 81433410

IUPAC4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H8BrF6NO/c12-8-2-1-6(5-7(8)11(16,17)18)9(20)19-4-3-10(13,14)15/h1-2,5H,3-4H2,(H,19,20)
InChIKeyXCZGQDVACYAHHK-UHFFFAOYSA-N
MW364.08 g/mol
LogP4.15
Rot. Bonds3

About 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide

4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 81433410) has the molecular formula C11H8BrF6NO and a molecular weight of 364.08 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID81433410
Molecular FormulaC11H8BrF6NO
Molecular Weight364.08 g/mol
Exact Mass362.97
IUPAC Name4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C11H8BrF6NO/c12-8-2-1-6(5-7(8)11(16,17)18)9(20)19-4-3-10(13,14)15/h1-2,5H,3-4H2,(H,19,20)
InChIKeyXCZGQDVACYAHHK-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.08
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802
N-(4-amino-4-oxobutyl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81449301
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232
4-bromo-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 63226688
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
CID 103819837
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-bromo-N-but-2-ynyl-3-(trifluoromethyl)benzamide
CID 115866905
4-bromo-N-[3-(2-chloroethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106306628
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide (CID 81433410) is 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is XCZGQDVACYAHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF6NO/c12-8-2-1-6(5-7(8)11(16,17)18)9(20)19-4-3-10(13,14)15/h1-2,5H,3-4H2,(H,19,20).
What are the key properties of 4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide?
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 364.08 g/mol, XLogP of 4.15, 3 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-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 81433410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).