5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

C20H9BrF7NO — CID 56647411

IUPAC5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C20H9BrF7NO/c21-10-6-7-11(9-4-2-1-3-5-9)12(8-10)19(30)29-18-16(24)14(22)13(20(26,27)28)15(23)17(18)25/h1-8H,(H,29,30)
InChIKeyIEFNEWIAGDQXFC-UHFFFAOYSA-N
MW492.19 g/mol
LogP6.94
Rot. Bonds3

About 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide

5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 56647411) has the molecular formula C20H9BrF7NO and a molecular weight of 492.19 g/mol. Its IUPAC name is 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID56647411
Molecular FormulaC20H9BrF7NO
Molecular Weight492.19 g/mol
Exact Mass490.98
IUPAC Name5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C20H9BrF7NO/c21-10-6-7-11(9-4-2-1-3-5-9)12(8-10)19(30)29-18-16(24)14(22)13(20(26,27)28)15(23)17(18)25/h1-8H,(H,29,30)
InChIKeyIEFNEWIAGDQXFC-UHFFFAOYSA-N
XLogP6.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylphenyl)-3-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 135003848
2-methyl-6-(4-methylphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135055453
2-(3-bromophenyl)-N-(2,3,4,5,6-pentafluorophenyl)quinoline-4-carboxamide
CID 3535880
2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 134318670
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107642067
4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135058197
3-bromo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 4048917
4-chloro-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 86708437
2-[[3-[2-oxo-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895677
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
2-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexene-1-carboxylic acid
CID 53270899
N-hydroxy-2,5-diphenylbenzamide
CID 58121123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide (CID 56647411) is 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IEFNEWIAGDQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9BrF7NO/c21-10-6-7-11(9-4-2-1-3-5-9)12(8-10)19(30)29-18-16(24)14(22)13(20(26,27)28)15(23)17(18)25/h1-8H,(H,29,30).
What are the key properties of 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide?
5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 492.19 g/mol, XLogP of 6.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56647411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).