N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine

C20H14F4N2O — CID 20701895

IUPACN-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
SMILESC/C(=N\c1c(F)cccc1F)c1ccc(/C(C)=N/c2c(F)cccc2F)o1
InChIInChI=1S/C20H14F4N2O/c1-11(25-19-13(21)5-3-6-14(19)22)17-9-10-18(27-17)12(2)26-20-15(23)7-4-8-16(20)24/h3-10H,1-2H3/b25-11+,26-12+
InChIKeyJKZGXNLCGXEKOU-KOZSXFMUSA-N
MW374.34 g/mol
LogP6.12
Rot. Bonds4

About N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine

N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine (PubChem CID 20701895) has the molecular formula C20H14F4N2O and a molecular weight of 374.34 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
PubChem CID20701895
Molecular FormulaC20H14F4N2O
Molecular Weight374.34 g/mol
Exact Mass374.10
IUPAC NameN-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
SMILESC/C(=N\c1c(F)cccc1F)c1ccc(/C(C)=N/c2c(F)cccc2F)o1
InChIInChI=1S/C20H14F4N2O/c1-11(25-19-13(21)5-3-6-14(19)22)17-9-10-18(27-17)12(2)26-20-15(23)7-4-8-16(20)24/h3-10H,1-2H3/b25-11+,26-12+
InChIKeyJKZGXNLCGXEKOU-KOZSXFMUSA-N
XLogP6.12
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 56.12
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-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The IUPAC name of N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine (CID 20701895) is N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The canonical SMILES for N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine is C/C(=N\c1c(F)cccc1F)c1ccc(/C(C)=N/c2c(F)cccc2F)o1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
The InChIKey is JKZGXNLCGXEKOU-KOZSXFMUSA-N. The full InChI is InChI=1S/C20H14F4N2O/c1-11(25-19-13(21)5-3-6-14(19)22)17-9-10-18(27-17)12(2)26-20-15(23)7-4-8-16(20)24/h3-10H,1-2H3/b25-11+,26-12+.
What are the key properties of N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine?
N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine has a molecular weight of 374.34 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine is sourced from PubChem (CID 20701895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).