N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide

C14H10BrF3N2O — CID 81485699

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c1-8-6-9(15)7-19-12(8)20-13(21)10-4-2-3-5-11(10)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyVAUWSZNPSGEALP-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.42
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide (PubChem CID 81485699) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
PubChem CID81485699
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c1-8-6-9(15)7-19-12(8)20-13(21)10-4-2-3-5-11(10)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyVAUWSZNPSGEALP-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115739184
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 83166694
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
N-(5-bromo-3-methyl-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670589
methyl 4-methyl-6-[[2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylate
CID 170250393
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-nitrobenzamide
CID 83169523
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide (CID 81485699) is N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide is Cc1cc(Br)cnc1NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
The InChIKey is VAUWSZNPSGEALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-8-6-9(15)7-19-12(8)20-13(21)10-4-2-3-5-11(10)14(16,17)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide has a molecular weight of 359.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 81485699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).