N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine

C20H16F2N2O — CID 20701911

IUPACN-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
SMILESC/C(=N\c1ccccc1F)c1ccc(/C(C)=N/c2ccccc2F)o1
InChIInChI=1S/C20H16F2N2O/c1-13(23-17-9-5-3-7-15(17)21)19-11-12-20(25-19)14(2)24-18-10-6-4-8-16(18)22/h3-12H,1-2H3/b23-13+,24-14+
InChIKeyXWLVFUXZXZEZFM-RNIAWFEPSA-N
MW338.36 g/mol
LogP5.84
Rot. Bonds4

About N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine

N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine (PubChem CID 20701911) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
PubChem CID20701911
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC NameN-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
SMILESC/C(=N\c1ccccc1F)c1ccc(/C(C)=N/c2ccccc2F)o1
InChIInChI=1S/C20H16F2N2O/c1-13(23-17-9-5-3-7-15(17)21)19-11-12-20(25-19)14(2)24-18-10-6-4-8-16(18)22/h3-12H,1-2H3/b23-13+,24-14+
InChIKeyXWLVFUXZXZEZFM-RNIAWFEPSA-N
XLogP5.84
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.36
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The IUPAC name of N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine (CID 20701911) is N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine is C/C(=N\c1ccccc1F)c1ccc(/C(C)=N/c2ccccc2F)o1.
What is the InChIKey of N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The InChIKey is XWLVFUXZXZEZFM-RNIAWFEPSA-N. The full InChI is InChI=1S/C20H16F2N2O/c1-13(23-17-9-5-3-7-15(17)21)19-11-12-20(25-19)14(2)24-18-10-6-4-8-16(18)22/h3-12H,1-2H3/b23-13+,24-14+.
What are the key properties of N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine has a molecular weight of 338.36 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine is sourced from PubChem (CID 20701911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).