2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine

C16H15FN4 — CID 52943886

IUPAC2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN4/c17-14-9-5-4-6-12(14)10-11-15(20-21-16(18)19)13-7-2-1-3-8-13/h1-11H,(H4,18,19,21)/b11-10+,20-15-
InChIKeyHHLZQXUEFJCNLB-MWGNTOPISA-N
MW282.32 g/mol
LogP2.52
Rot. Bonds4

About 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine (PubChem CID 52943886) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
PubChem CID52943886
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN4/c17-14-9-5-4-6-12(14)10-11-15(20-21-16(18)19)13-7-2-1-3-8-13/h1-11H,(H4,18,19,21)/b11-10+,20-15-
InChIKeyHHLZQXUEFJCNLB-MWGNTOPISA-N
XLogP2.52
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.52
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 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine (CID 52943886) is 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is HHLZQXUEFJCNLB-MWGNTOPISA-N. The full InChI is InChI=1S/C16H15FN4/c17-14-9-5-4-6-12(14)10-11-15(20-21-16(18)19)13-7-2-1-3-8-13/h1-11H,(H4,18,19,21)/b11-10+,20-15-.
What are the key properties of 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 282.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-3-(2-fluorophenyl)-1-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52943886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).