N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide

C14H11F3N2O — CID 12883301

IUPACN-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-9-10-5-7-18-8-6-10/h1-8H,9H2,(H,19,20)
InChIKeyZGQRUILJBPTLNO-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.03
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide

N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 12883301) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID12883301
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC NameN-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-9-10-5-7-18-8-6-10/h1-8H,9H2,(H,19,20)
InChIKeyZGQRUILJBPTLNO-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-(pyridin-4-ylmethyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109259190
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
N-(pyridin-4-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109158163
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide (CID 12883301) is N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide is O=C(NCc1ccncc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is ZGQRUILJBPTLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)12-3-1-11(2-4-12)13(20)19-9-10-5-7-18-8-6-10/h1-8H,9H2,(H,19,20).
What are the key properties of N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide?
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 280.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 12883301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).