N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide

C18H14FN2O+ — CID 135023904

IUPACN-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide
SMILESO=C(N[n+]1ccc(-c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C18H13FN2O/c19-17-8-6-14(7-9-17)15-10-12-21(13-11-15)20-18(22)16-4-2-1-3-5-16/h1-13H/p+1
InChIKeyZWYNPOMXHGXIGT-UHFFFAOYSA-O
MW293.32 g/mol
LogP3.16
Rot. Bonds3

About N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide

N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide (PubChem CID 135023904) has the molecular formula C18H14FN2O+ and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide
PubChem CID135023904
Molecular FormulaC18H14FN2O+
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide
SMILESO=C(N[n+]1ccc(-c2ccc(F)cc2)cc1)c1ccccc1
InChIInChI=1S/C18H13FN2O/c19-17-8-6-14(7-9-17)15-10-12-21(13-11-15)20-18(22)16-4-2-1-3-5-16/h1-13H/p+1
InChIKeyZWYNPOMXHGXIGT-UHFFFAOYSA-O
XLogP3.16
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.16
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'-Cyclohexylideneisonicotinohydrazide
CID 27256
4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870
N'-(4-fluorobenzylidene)isonicotinohydrazide
CID 6861407
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
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
N'-[(E)-1-naphthylmethylidene]nicotinohydrazide
CID 6862673
Benzoic (4-pyridylmethylene)hydrazide
CID 6862726

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide (CID 135023904) is N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide is O=C(N[n+]1ccc(-c2ccc(F)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide?
The InChIKey is ZWYNPOMXHGXIGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H13FN2O/c19-17-8-6-14(7-9-17)15-10-12-21(13-11-15)20-18(22)16-4-2-1-3-5-16/h1-13H/p+1.
What are the key properties of N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide?
N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide has a molecular weight of 293.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)pyridin-1-ium-1-yl]benzamide is sourced from PubChem (CID 135023904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).