1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine

C15H12Cl2F2N4 — CID 54115493

IUPAC1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1c(F)cccc1F)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2F2N4/c16-11-3-1-4-12(17)9(11)8-22-23-15(20)21-7-10-13(18)5-2-6-14(10)19/h1-6,8H,7H2,(H3,20,21,23)
InChIKeyNKAVXQQWUPUOBH-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.71
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine

1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine (PubChem CID 54115493) has the molecular formula C15H12Cl2F2N4 and a molecular weight of 357.19 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine
PubChem CID54115493
Molecular FormulaC15H12Cl2F2N4
Molecular Weight357.19 g/mol
Exact Mass356.04
IUPAC Name1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1c(F)cccc1F)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12Cl2F2N4/c16-11-3-1-4-12(17)9(11)8-22-23-15(20)21-7-10-13(18)5-2-6-14(10)19/h1-6,8H,7H2,(H3,20,21,23)
InChIKeyNKAVXQQWUPUOBH-UHFFFAOYSA-N
XLogP3.71
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.71
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 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine (CID 54115493) is 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine is N/C(=N\Cc1c(F)cccc1F)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine?
The InChIKey is NKAVXQQWUPUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N4/c16-11-3-1-4-12(17)9(11)8-22-23-15(20)21-7-10-13(18)5-2-6-14(10)19/h1-6,8H,7H2,(H3,20,21,23).
What are the key properties of 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine?
1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine has a molecular weight of 357.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methylideneamino]-2-[(2,6-difluorophenyl)methyl]guanidine is sourced from PubChem (CID 54115493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).