N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride

C13H13ClFN3 — CID 171114666

IUPACN'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C13H12FN3.ClH/c14-11-8-4-5-9-12(11)16-17-13(15)10-6-2-1-3-7-10;/h1-9,16H,(H2,15,17);1H
InChIKeyZNRNCKRWZPDWFX-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.98
Rot. Bonds3

About N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride

N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride (PubChem CID 171114666) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride
PubChem CID171114666
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC NameN'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C13H12FN3.ClH/c14-11-8-4-5-9-12(11)16-17-13(15)10-6-2-1-3-7-10;/h1-9,16H,(H2,15,17);1H
InChIKeyZNRNCKRWZPDWFX-UHFFFAOYSA-N
XLogP2.98
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride?
The IUPAC name of N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride (CID 171114666) is N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride is Cl.N/C(=N\Nc1ccccc1F)c1ccccc1.
What is the InChIKey of N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride?
The InChIKey is ZNRNCKRWZPDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3.ClH/c14-11-8-4-5-9-12(11)16-17-13(15)10-6-2-1-3-7-10;/h1-9,16H,(H2,15,17);1H.
What are the key properties of N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride?
N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride has a molecular weight of 265.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoroanilino)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 171114666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).