N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C21H17F3N2O2 — CID 167940984

IUPACN-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C21H17F3N2O2/c1-13(15-10-11-25-19(27)12-15)26-20(28)18-5-3-2-4-17(18)14-6-8-16(9-7-14)21(22,23)24/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyKUIVICDWPNNSLZ-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.55
Rot. Bonds4

About N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 167940984) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID167940984
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC NameN-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C21H17F3N2O2/c1-13(15-10-11-25-19(27)12-15)26-20(28)18-5-3-2-4-17(18)14-6-8-16(9-7-14)21(22,23)24/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyKUIVICDWPNNSLZ-UHFFFAOYSA-N
XLogP4.55
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 154841316
N-[(1R)-1-(4-methylphenyl)ethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 59711004
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
formamide;N-(1-phenylethyl)-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1H-indole-2-carboxamide
CID 142201167
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 146088412
6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136950368
N-[1-(3,5-dimethylphenyl)ethyl]-2-pyridin-4-ylbenzamide
CID 154851586
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-quinolin-2-yl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 69267048
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
2,3-dichloro-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 37354874

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 167940984) is N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is CC(NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KUIVICDWPNNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-13(15-10-11-25-19(27)12-15)26-20(28)18-5-3-2-4-17(18)14-6-8-16(9-7-14)21(22,23)24/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167940984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).