2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine

C15H12ClF3N4 — CID 5360955

IUPAC2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23)/b22-13-
InChIKeyAJJOTBLQSCCRON-XKZIYDEJSA-N
MW340.74 g/mol
LogP3.38
Rot. Bonds3

About 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine

2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine (PubChem CID 5360955) has the molecular formula C15H12ClF3N4 and a molecular weight of 340.74 g/mol. Its IUPAC name is 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
PubChem CID5360955
Molecular FormulaC15H12ClF3N4
Molecular Weight340.74 g/mol
Exact Mass340.07
IUPAC Name2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23)/b22-13-
InChIKeyAJJOTBLQSCCRON-XKZIYDEJSA-N
XLogP3.38
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 53.38
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)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine (CID 5360955) is 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine is NC(N)=N/N=C(\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
The InChIKey is AJJOTBLQSCCRON-XKZIYDEJSA-N. The full InChI is InChI=1S/C15H12ClF3N4/c16-12-7-3-10(4-8-12)13(22-23-14(20)21)9-1-5-11(6-2-9)15(17,18)19/h1-8H,(H4,20,21,23)/b22-13-.
What are the key properties of 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine?
2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine has a molecular weight of 340.74 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine is sourced from PubChem (CID 5360955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).