1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride

C18H18Cl2F3N5 — CID 131985107

IUPAC1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride
SMILESCC(=N/N=C(\N)NN=C(C)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H17ClF3N5.ClH/c1-11(13-3-7-15(8-4-13)18(20,21)22)24-26-17(23)27-25-12(2)14-5-9-16(19)10-6-14;/h3-10H,1-2H3,(H3,23,26,27);1H
InChIKeyJTSLHEFUHMMORU-UHFFFAOYSA-N
MW432.28 g/mol
LogP4.83
Rot. Bonds4

About 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride

1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride (PubChem CID 131985107) has the molecular formula C18H18Cl2F3N5 and a molecular weight of 432.28 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride
PubChem CID131985107
Molecular FormulaC18H18Cl2F3N5
Molecular Weight432.28 g/mol
Exact Mass431.09
IUPAC Name1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride
SMILESCC(=N/N=C(\N)NN=C(C)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H17ClF3N5.ClH/c1-11(13-3-7-15(8-4-13)18(20,21)22)24-26-17(23)27-25-12(2)14-5-9-16(19)10-6-14;/h3-10H,1-2H3,(H3,23,26,27);1H
InChIKeyJTSLHEFUHMMORU-UHFFFAOYSA-N
XLogP4.83
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.28
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride (CID 131985107) is 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride is CC(=N/N=C(\N)NN=C(C)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride?
The InChIKey is JTSLHEFUHMMORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5.ClH/c1-11(13-3-7-15(8-4-13)18(20,21)22)24-26-17(23)27-25-12(2)14-5-9-16(19)10-6-14;/h3-10H,1-2H3,(H3,23,26,27);1H.
What are the key properties of 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride?
1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride has a molecular weight of 432.28 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethylideneamino]-2-[1-[4-(trifluoromethyl)phenyl]ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 131985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).