2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine

C15H13BrF2N4 — CID 89422414

IUPAC2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
SMILESNC(N)=N/N=C(/Cc1ccccc1F)c1cc(F)ccc1Br
InChIInChI=1S/C15H13BrF2N4/c16-12-6-5-10(17)8-11(12)14(21-22-15(19)20)7-9-3-1-2-4-13(9)18/h1-6,8H,7H2,(H4,19,20,22)/b21-14-
InChIKeyTUNCCSADHUAXHQ-STZFKDTASA-N
MW367.20 g/mol
LogP2.95
Rot. Bonds4

About 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine

2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine (PubChem CID 89422414) has the molecular formula C15H13BrF2N4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
PubChem CID89422414
Molecular FormulaC15H13BrF2N4
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
SMILESNC(N)=N/N=C(/Cc1ccccc1F)c1cc(F)ccc1Br
InChIInChI=1S/C15H13BrF2N4/c16-12-6-5-10(17)8-11(12)14(21-22-15(19)20)7-9-3-1-2-4-13(9)18/h1-6,8H,7H2,(H4,19,20,22)/b21-14-
InChIKeyTUNCCSADHUAXHQ-STZFKDTASA-N
XLogP2.95
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 52.95
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)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine (CID 89422414) is 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine is NC(N)=N/N=C(/Cc1ccccc1F)c1cc(F)ccc1Br.
What is the InChIKey of 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
The InChIKey is TUNCCSADHUAXHQ-STZFKDTASA-N. The full InChI is InChI=1S/C15H13BrF2N4/c16-12-6-5-10(17)8-11(12)14(21-22-15(19)20)7-9-3-1-2-4-13(9)18/h1-6,8H,7H2,(H4,19,20,22)/b21-14-.
What are the key properties of 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine has a molecular weight of 367.20 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine is sourced from PubChem (CID 89422414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).