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

C14H10BrF3N2O — CID 123353313

IUPACN-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(Br)ccn2)cc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c1-8-2-3-9(6-11(8)14(16,17)18)13(21)20-12-7-10(15)4-5-19-12/h2-7H,1H3,(H,19,20,21)
InChIKeyUMYMKARZPXTODD-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.42
Rot. Bonds2

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

N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide (PubChem CID 123353313) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide
PubChem CID123353313
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC NameN-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(Br)ccn2)cc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c1-8-2-3-9(6-11(8)14(16,17)18)13(21)20-12-7-10(15)4-5-19-12/h2-7H,1H3,(H,19,20,21)
InChIKeyUMYMKARZPXTODD-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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide (CID 123353313) is N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Nc2cc(Br)ccn2)cc1C(F)(F)F.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is UMYMKARZPXTODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-8-2-3-9(6-11(8)14(16,17)18)13(21)20-12-7-10(15)4-5-19-12/h2-7H,1H3,(H,19,20,21).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide?
N-(4-bromo-2-pyridinyl)-4-methyl-3-(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-(4-bromo-2-pyridinyl)-4-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123353313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).