N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide

C13H7BrF4N2O — CID 102674046

IUPACN-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)ccn1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H7BrF4N2O/c14-7-4-5-19-10(6-7)20-12(21)8-2-1-3-9(11(8)15)13(16,17)18/h1-6H,(H,19,20,21)
InChIKeyBMXFKWDYAMHYHC-UHFFFAOYSA-N
MW363.11 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide

N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 102674046) has the molecular formula C13H7BrF4N2O and a molecular weight of 363.11 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID102674046
Molecular FormulaC13H7BrF4N2O
Molecular Weight363.11 g/mol
Exact Mass361.97
IUPAC NameN-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Br)ccn1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C13H7BrF4N2O/c14-7-4-5-19-10(6-7)20-12(21)8-2-1-3-9(11(8)15)13(16,17)18/h1-6H,(H,19,20,21)
InChIKeyBMXFKWDYAMHYHC-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-fluoro-N-(2-methoxy-4-pyridinyl)-3-(trifluoromethyl)benzamide
CID 172774529
N-(4-bromo-2-pyridinyl)-3-fluorobenzamide
CID 3011458
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
N-(4-bromo-2-pyridinyl)-2,5-difluoro-3-nitrobenzamide
CID 107122453
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 102674220
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
2-bromo-N-(4-chloro-2-pyridinyl)-3-fluorobenzamide
CID 113456910

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide (CID 102674046) is N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide is O=C(Nc1cc(Br)ccn1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is BMXFKWDYAMHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4N2O/c14-7-4-5-19-10(6-7)20-12(21)8-2-1-3-9(11(8)15)13(16,17)18/h1-6H,(H,19,20,21).
What are the key properties of N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide?
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 363.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 102674046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).