N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide

C21H17F3N2O2 — CID 1486032

IUPACN-benzyl-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)18-10-11-19(27)26(14-18)13-16-6-8-17(9-7-16)20(28)25-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)
InChIKeyXPPHFCHFQHHJAY-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide

N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide (PubChem CID 1486032) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-benzyl-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide
PubChem CID1486032
Molecular FormulaC21H17F3N2O2
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC NameN-benzyl-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F
InChIInChI=1S/C21H17F3N2O2/c22-21(23,24)18-10-11-19(27)26(14-18)13-16-6-8-17(9-7-16)20(28)25-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28)
InChIKeyXPPHFCHFQHHJAY-UHFFFAOYSA-N
XLogP3.10
TPSA49.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity628

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-dibenzoylpiperazine
CID 80185
N,N-Dibenzylbenzamide
CID 101312
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
AR-M1000390
CID 9841259
N-[3-(benzoylamino)propyl]benzamide
CID 255782
N-benzyl-4-oxo-4-phenylbutanamide
CID 347385
4-fluoro-N-(2-oxo-2-phenylethyl)benzamide
CID 796031

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide?
The IUPAC name of N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide (CID 1486032) is N-benzyl-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide?
The canonical SMILES for N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide is C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C=C(C=CC3=O)C(F)(F)F.
What is the InChIKey of N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide?
The InChIKey is XPPHFCHFQHHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-21(23,24)18-10-11-19(27)26(14-18)13-16-6-8-17(9-7-16)20(28)25-12-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,25,28).
What are the key properties of N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide?
N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide is sourced from PubChem (CID 1486032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).