N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H16F3N2O+ — CID 162767908

IUPACN-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(N[n+]1ccccc1)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)18-10-6-16(7-11-18)14-15-4-8-17(9-5-15)19(26)24-25-12-2-1-3-13-25/h1-13H,14H2/p+1
InChIKeySOWUENWJFHRAAY-UHFFFAOYSA-O
MW357.36 g/mol
LogP3.97
Rot. Bonds4

About N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 162767908) has the molecular formula C20H16F3N2O+ and a molecular weight of 357.36 g/mol. Its IUPAC name is N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID162767908
Molecular FormulaC20H16F3N2O+
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(N[n+]1ccccc1)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H15F3N2O/c21-20(22,23)18-10-6-16(7-11-18)14-15-4-8-17(9-5-15)19(26)24-25-12-2-1-3-13-25/h1-13H,14H2/p+1
InChIKeySOWUENWJFHRAAY-UHFFFAOYSA-O
XLogP3.97
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
4-Methylbenzaldehyde isonicotinoyl hydrazone
CID 9554862
Isonicotinic acid, cinnamylidenehydrazide
CID 6862358
C.I. Reactive Blue 231
CID 331252
N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 5333835
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
N'-Isonicotinoylbenzohydrazide
CID 569538
Benzoic (4-pyridylmethylene)hydrazide
CID 6862726
Benzoic (3-pyridylmethylene)hydrazide
CID 6870931
Di-2-pyridyl ketone benzoylhydrazone
CID 688285
(E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1yl)ethylidene)isonicotino hydrazide (3j)
CID 126961578
N-[(E)-(4-tert-butylphenyl)methylideneamino]pyridine-2-carboxamide
CID 5334811

Frequently Asked Questions

What is the IUPAC name of N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 162767908) is N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(N[n+]1ccccc1)c1ccc(Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is SOWUENWJFHRAAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H15F3N2O/c21-20(22,23)18-10-6-16(7-11-18)14-15-4-8-17(9-5-15)19(26)24-25-12-2-1-3-13-25/h1-13H,14H2/p+1.
What are the key properties of N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-1-ium-1-yl-4-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 162767908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).