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

C15H11Cl2F2N5 — CID 118918787

IUPAC1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc(Cl)cc1F)N/N=C/c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2F2N5/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)/b21-7+,22-8+
InChIKeyVGBKWQIGFFEHFI-KVJLFNRQSA-N
MW370.19 g/mol
LogP3.54
Rot. Bonds4

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

1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine (PubChem CID 118918787) has the molecular formula C15H11Cl2F2N5 and a molecular weight of 370.19 g/mol. Its IUPAC name is 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine
PubChem CID118918787
Molecular FormulaC15H11Cl2F2N5
Molecular Weight370.19 g/mol
Exact Mass369.04
IUPAC Name1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine
SMILESN/C(=N\N=C\c1ccc(Cl)cc1F)N/N=C/c1ccc(Cl)cc1F
InChIInChI=1S/C15H11Cl2F2N5/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)/b21-7+,22-8+
InChIKeyVGBKWQIGFFEHFI-KVJLFNRQSA-N
XLogP3.54
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.54
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 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine (CID 118918787) is 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine is N/C(=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?
The InChIKey is VGBKWQIGFFEHFI-KVJLFNRQSA-N. The full InChI is InChI=1S/C15H11Cl2F2N5/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)/b21-7+,22-8+.
What are the key properties of 1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine?
1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine has a molecular weight of 370.19 g/mol, XLogP of 3.54, 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 is sourced from PubChem (CID 118918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).