1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride

C15H12Cl3F2N5 — CID 172935906

IUPAC1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(=N/N=C/c1ccc(Cl)cc1F)N/N=C/c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2F2N5.ClH/c16-11-3-1-9(13(18)5-11)7-21-23-15(20)24-22-8-10-2-4-12(17)6-14(10)19;/h1-8H,(H3,20,23,24);1H/b21-7+,22-8+;
InChIKeyQUIRGABGSDUIMW-SNULRISISA-N
MW406.65 g/mol
LogP3.97
Rot. Bonds4

About 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride

1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 172935906) has the molecular formula C15H12Cl3F2N5 and a molecular weight of 406.65 g/mol. Its IUPAC name is 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
PubChem CID172935906
Molecular FormulaC15H12Cl3F2N5
Molecular Weight406.65 g/mol
Exact Mass405.01
IUPAC Name1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(=N/N=C/c1ccc(Cl)cc1F)N/N=C/c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2F2N5.ClH/c16-11-3-1-9(13(18)5-11)7-21-23-15(20)24-22-8-10-2-4-12(17)6-14(10)19;/h1-8H,(H3,20,23,24);1H/b21-7+,22-8+;
InChIKeyQUIRGABGSDUIMW-SNULRISISA-N
XLogP3.97
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 53.97
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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Related Compounds

1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
1,2-bis[(2-amino-4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 131746622
1,2-bis[(E)-(2-amino-4-chlorophenyl)methylideneamino]guanidine
CID 86279330
N-[2-[[[N'-[(2-acetamido-4-chlorophenyl)methylideneamino]carbamimidoyl]hydrazinylidene]methyl]-5-chlorophenyl]acetamide
CID 154403714
1,2-bis[(2-fluorophenyl)methylideneamino]guanidine
CID 5114964
1,2-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]guanidine
CID 136632894
1,2-bis[(E)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172915818
1,2-bis[(Z)-(4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 68813768
1-[(4-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methylideneamino]guanidine
CID 123386434
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(2,3,4-trihydroxyphenyl)methylideneamino]guanidine
CID 137153596
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride (CID 172935906) is 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride is Cl.NC(=N/N=C/c1ccc(Cl)cc1F)N/N=C/c1ccc(Cl)cc1F.
What is the InChIKey of 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is QUIRGABGSDUIMW-SNULRISISA-N. The full InChI is InChI=1S/C15H11Cl2F2N5.ClH/c16-11-3-1-9(13(18)5-11)7-21-23-15(20)24-22-8-10-2-4-12(17)6-14(10)19;/h1-8H,(H3,20,23,24);1H/b21-7+,22-8+;.
What are the key properties of 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride?
1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 406.65 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 172935906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).