N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C26H19F3N2O2 — CID 55767726

IUPACN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)20-12-10-19(11-13-20)22-5-1-2-6-23(22)25(33)30-21-14-8-18(9-15-21)17-31-16-4-3-7-24(31)32/h1-16H,17H2,(H,30,33)
InChIKeyKBIAJKVPLHNRLO-UHFFFAOYSA-N
MW448.44 g/mol
LogP5.83
Rot. Bonds5

About N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 55767726) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID55767726
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC NameN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)20-12-10-19(11-13-20)22-5-1-2-6-23(22)25(33)30-21-14-8-18(9-15-21)17-31-16-4-3-7-24(31)32/h1-16H,17H2,(H,30,33)
InChIKeyKBIAJKVPLHNRLO-UHFFFAOYSA-N
XLogP5.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 55.83
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-bromophenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843720
N-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 91268853
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47856894
2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881732
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 24657539
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
N-[2-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 54565598
N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944375
N-[4-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 86591546
N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 55767726) is N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KBIAJKVPLHNRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c27-26(28,29)20-12-10-19(11-13-20)22-5-1-2-6-23(22)25(33)30-21-14-8-18(9-15-21)17-31-16-4-3-7-24(31)32/h1-16H,17H2,(H,30,33).
What are the key properties of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 448.44 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55767726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).