1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H15F3N2O2 — CID 7422674

IUPAC1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)16-10-4-5-11-17(16)24-18(26)15-9-6-12-25(19(15)27)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26)
InChIKeyXFPOOACVRAKEQG-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.17
Rot. Bonds4

About 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide

1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 7422674) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID7422674
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)16-10-4-5-11-17(16)24-18(26)15-9-6-12-25(19(15)27)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26)
InChIKeyXFPOOACVRAKEQG-UHFFFAOYSA-N
XLogP4.17
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
Isonixin
CID 68767
Iferanserin
CID 6445539
6-[Bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23644730
7-(Benzylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 22279210
N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
CID 579553
N1,N3-Bis(2-ethylphenyl)propanediamide
CID 3881876
2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 4019048
2,2,2-trifluoro-N-[2-oxo-4-(trifluoromethyl)-1,2-dihydroquinolin-6-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9844232
6-[Benzyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9952803
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 7422674) is 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is XFPOOACVRAKEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)16-10-4-5-11-17(16)24-18(26)15-9-6-12-25(19(15)27)13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,26).
What are the key properties of 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7422674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).