N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride

C14H13ClFN3O — CID 132933007

IUPACN-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
SMILESO=C(C[n+]1ccccc1)N/N=C\c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H12FN3O.ClH/c15-13-6-4-12(5-7-13)10-16-17-14(19)11-18-8-2-1-3-9-18;/h1-10H,11H2;1H/b16-10-;
InChIKeyFJUFDPFSJJFICB-HYMQDMCPSA-N
MW293.73 g/mol
LogP-1.73
Rot. Bonds4

About N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride (PubChem CID 132933007) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride.

Molecular Properties

Compound NameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
PubChem CID132933007
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
SMILESO=C(C[n+]1ccccc1)N/N=C\c1ccc(F)cc1.[Cl-]
InChIInChI=1S/C14H12FN3O.ClH/c15-13-6-4-12(5-7-13)10-16-17-14(19)11-18-8-2-1-3-9-18;/h1-10H,11H2;1H/b16-10-;
InChIKeyFJUFDPFSJJFICB-HYMQDMCPSA-N
XLogP-1.73
TPSA45.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506404
2-pyridin-1-ium-1-yl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 6132610
N-[(4-tert-butylphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 2321367
2-pyridin-1-ium-1-yl-N-[(E)-thiophen-3-ylmethylideneamino]acetamide
CID 15703176
N-[(E)-(4-fluorophenyl)methylideneamino]-2-phenylacetamide
CID 6899001
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride
CID 146022648
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(E)-(2-chloro-4-fluoro-3-pyridinyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146022139
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021692
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 136886967

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride?
The IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride (CID 132933007) is N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride.
What is the SMILES notation for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride?
The canonical SMILES for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride is O=C(C[n+]1ccccc1)N/N=C\c1ccc(F)cc1.[Cl-].
What is the InChIKey of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride?
The InChIKey is FJUFDPFSJJFICB-HYMQDMCPSA-N. The full InChI is InChI=1S/C14H12FN3O.ClH/c15-13-6-4-12(5-7-13)10-16-17-14(19)11-18-8-2-1-3-9-18;/h1-10H,11H2;1H/b16-10-;.
What are the key properties of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride?
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride has a molecular weight of 293.73 g/mol, XLogP of -1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide chloride is sourced from PubChem (CID 132933007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).