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

C16H14Cl2N4 — CID 52941378

IUPAC2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4/c17-13-8-7-12(10-14(13)18)15(21-22-16(19)20)9-6-11-4-2-1-3-5-11/h1-10H,(H4,19,20,22)/b9-6+,21-15-
InChIKeyFEWDOXXBINEXKB-OQTFOHMESA-N
MW333.22 g/mol
LogP3.68
Rot. Bonds4

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

2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine (PubChem CID 52941378) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
PubChem CID52941378
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4/c17-13-8-7-12(10-14(13)18)15(21-22-16(19)20)9-6-11-4-2-1-3-5-11/h1-10H,(H4,19,20,22)/b9-6+,21-15-
InChIKeyFEWDOXXBINEXKB-OQTFOHMESA-N
XLogP3.68
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.68
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-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine (CID 52941378) is 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
The InChIKey is FEWDOXXBINEXKB-OQTFOHMESA-N. The full InChI is InChI=1S/C16H14Cl2N4/c17-13-8-7-12(10-14(13)18)15(21-22-16(19)20)9-6-11-4-2-1-3-5-11/h1-10H,(H4,19,20,22)/b9-6+,21-15-.
What are the key properties of 2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-1-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine has a molecular weight of 333.22 g/mol, XLogP of 3.68, 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-(3,4-dichlorophenyl)-3-phenylprop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).