N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide

C20H14BrF3N2O — CID 91260096

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14BrF3N2O/c1-12-10-15(21)11-25-18(12)26-19(27)17-5-3-2-4-16(17)13-6-8-14(9-7-13)20(22,23)24/h2-11H,1H3,(H,25,26,27)
InChIKeyUSYYVLCVLCOBIJ-UHFFFAOYSA-N
MW435.24 g/mol
LogP6.09
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 91260096) has the molecular formula C20H14BrF3N2O and a molecular weight of 435.24 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID91260096
Molecular FormulaC20H14BrF3N2O
Molecular Weight435.24 g/mol
Exact Mass434.02
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14BrF3N2O/c1-12-10-15(21)11-25-18(12)26-19(27)17-5-3-2-4-16(17)13-6-8-14(9-7-13)20(22,23)24/h2-11H,1H3,(H,25,26,27)
InChIKeyUSYYVLCVLCOBIJ-UHFFFAOYSA-N
XLogP6.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.24
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 91260096) is N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1cc(Br)cnc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is USYYVLCVLCOBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N2O/c1-12-10-15(21)11-25-18(12)26-19(27)17-5-3-2-4-16(17)13-6-8-14(9-7-13)20(22,23)24/h2-11H,1H3,(H,25,26,27).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 435.24 g/mol, XLogP of 6.09, 3 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-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 91260096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).