2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine

C15H14BrFN4 — CID 123413411

IUPAC2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\Cc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C15H14BrFN4/c16-12-7-3-2-6-11(12)14(20-21-15(18)19)9-10-5-1-4-8-13(10)17/h1-8H,9H2,(H4,18,19,21)/b20-14+
InChIKeyBKTZJBBTRGETNL-XSFVSMFZSA-N
MW349.21 g/mol
LogP2.81
Rot. Bonds4

About 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine

2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine (PubChem CID 123413411) has the molecular formula C15H14BrFN4 and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
PubChem CID123413411
Molecular FormulaC15H14BrFN4
Molecular Weight349.21 g/mol
Exact Mass348.04
IUPAC Name2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\Cc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C15H14BrFN4/c16-12-7-3-2-6-11(12)14(20-21-15(18)19)9-10-5-1-4-8-13(10)17/h1-8H,9H2,(H4,18,19,21)/b20-14+
InChIKeyBKTZJBBTRGETNL-XSFVSMFZSA-N
XLogP2.81
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 52.81
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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Related Compounds

N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
CID 145320923
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
2-[(2-bromo-6-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 107600744
1-(2-bromo-5-iodophenyl)-2-(2-fluorophenyl)ethanone
CID 114026768
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
(2-fluorophenyl)methyl 5-amino-2-bromo-4-fluorobenzoate
CID 62815970
2-amino-1-[(2-fluorophenyl)methyl]-1-methylguanidine
CID 77053904
2-bromo-6-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883138
2-bromobenzamide;hydrochloride
CID 68911907
1,2-bis(2-fluorophenyl)ethanimine
CID 140970160
2-[(Z)-(2-amino-1-phenylethylidene)amino]guanidine
CID 45034354
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine (CID 123413411) is 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine is NC(N)=N/N=C(\Cc1ccccc1F)c1ccccc1Br.
What is the InChIKey of 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
The InChIKey is BKTZJBBTRGETNL-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H14BrFN4/c16-12-7-3-2-6-11(12)14(20-21-15(18)19)9-10-5-1-4-8-13(10)17/h1-8H,9H2,(H4,18,19,21)/b20-14+.
What are the key properties of 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine?
2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine has a molecular weight of 349.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[1-(2-bromophenyl)-2-(2-fluorophenyl)ethylidene]amino]guanidine is sourced from PubChem (CID 123413411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).