2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine

C16H15ClN4 — CID 5357086

IUPAC2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4/c17-14-9-7-13(8-10-14)15(20-21-16(18)19)11-6-12-4-2-1-3-5-12/h1-11H,(H4,18,19,21)/b11-6+,20-15-
InChIKeyWHQIJYLRTSWYMJ-CYGOCIAXSA-N
MW298.78 g/mol
LogP3.03
Rot. Bonds4

About 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine (PubChem CID 5357086) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
PubChem CID5357086
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4/c17-14-9-7-13(8-10-14)15(20-21-16(18)19)11-6-12-4-2-1-3-5-12/h1-11H,(H4,18,19,21)/b11-6+,20-15-
InChIKeyWHQIJYLRTSWYMJ-CYGOCIAXSA-N
XLogP3.03
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.03
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)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine (CID 5357086) is 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is WHQIJYLRTSWYMJ-CYGOCIAXSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-14-9-7-13(8-10-14)15(20-21-16(18)19)11-6-12-4-2-1-3-5-12/h1-11H,(H4,18,19,21)/b11-6+,20-15-.
What are the key properties of 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 298.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 5357086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).