N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C20H14BrF3N2O2 — CID 26843720

IUPACN-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H14BrF3N2O2/c21-15-7-9-16(10-8-15)25-18(27)17-2-1-11-26(19(17)28)12-13-3-5-14(6-4-13)20(22,23)24/h1-11H,12H2,(H,25,27)
InChIKeyYVATTZMFXPGPTE-UHFFFAOYSA-N
MW451.24 g/mol
LogP4.93
Rot. Bonds4

About N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 26843720) has the molecular formula C20H14BrF3N2O2 and a molecular weight of 451.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID26843720
Molecular FormulaC20H14BrF3N2O2
Molecular Weight451.24 g/mol
Exact Mass450.02
IUPAC NameN-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C20H14BrF3N2O2/c21-15-7-9-16(10-8-15)25-18(27)17-2-1-11-26(19(17)28)12-13-3-5-14(6-4-13)20(22,23)24/h1-11H,12H2,(H,25,27)
InChIKeyYVATTZMFXPGPTE-UHFFFAOYSA-N
XLogP4.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.24
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 22582914
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 55767726
N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843723
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
CID 26843761
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598727
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 26843720) is N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YVATTZMFXPGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrF3N2O2/c21-15-7-9-16(10-8-15)25-18(27)17-2-1-11-26(19(17)28)12-13-3-5-14(6-4-13)20(22,23)24/h1-11H,12H2,(H,25,27).
What are the key properties of N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 451.24 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 26843720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).