N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

C26H19F3N2O — CID 59673707

IUPACN-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C26H19F3N2O/c27-26(28,29)22-15-16-30-23(17-22)18-11-13-21(14-12-18)25(32)31-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,24H,(H,31,32)
InChIKeyHWVFFLQPCOFHLN-UHFFFAOYSA-N
MW432.45 g/mol
LogP6.29
Rot. Bonds5

About N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide

N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673707) has the molecular formula C26H19F3N2O and a molecular weight of 432.45 g/mol. Its IUPAC name is N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673707
Molecular FormulaC26H19F3N2O
Molecular Weight432.45 g/mol
Exact Mass432.14
IUPAC NameN-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C26H19F3N2O/c27-26(28,29)22-15-16-30-23(17-22)18-11-13-21(14-12-18)25(32)31-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,24H,(H,31,32)
InChIKeyHWVFFLQPCOFHLN-UHFFFAOYSA-N
XLogP6.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
N-(2-oxo-1H-pyridin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 143032463
2-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]prop-2-enamide
CID 175876313
N-[(1-methylpyrrol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 101433345
N-(2,6-dimethylpyrimidin-4-yl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673003
2-[2-(2-hydroxyethyl)phenyl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]ethanone
CID 143032649
N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 92880072
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673779

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673707) is N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is HWVFFLQPCOFHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O/c27-26(28,29)22-15-16-30-23(17-22)18-11-13-21(14-12-18)25(32)31-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,24H,(H,31,32).
What are the key properties of N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide?
N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).