N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron

C20H24Cl2FeN2O — CID 20702003

IUPACN-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron
SMILESC/C(=N\c1ccccc1)c1ccc(/C(C)=N/C2CCCCC2)o1.Cl[Fe]Cl
InChIInChI=1S/C20H24N2O.2ClH.Fe/c1-15(21-17-9-5-3-6-10-17)19-13-14-20(23-19)16(2)22-18-11-7-4-8-12-18;;;/h3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1-2H3;2*1H;/q;;;+2/p-2/b21-15+,22-16+;;;
InChIKeySNZARDYHRJGEGA-HESHWDSWSA-L
MW435.18 g/mol
LogP6.94
Rot. Bonds4

About N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron

N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron (PubChem CID 20702003) has the molecular formula C20H24Cl2FeN2O and a molecular weight of 435.18 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron
PubChem CID20702003
Molecular FormulaC20H24Cl2FeN2O
Molecular Weight435.18 g/mol
Exact Mass434.06
IUPAC NameN-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron
SMILESC/C(=N\c1ccccc1)c1ccc(/C(C)=N/C2CCCCC2)o1.Cl[Fe]Cl
InChIInChI=1S/C20H24N2O.2ClH.Fe/c1-15(21-17-9-5-3-6-10-17)19-13-14-20(23-19)16(2)22-18-11-7-4-8-12-18;;;/h3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1-2H3;2*1H;/q;;;+2/p-2/b21-15+,22-16+;;;
InChIKeySNZARDYHRJGEGA-HESHWDSWSA-L
XLogP6.94
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.18
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(5-Methylfuran-2-yl)-N-phenylmethanimine
CID 12516660
N-phenyl-1-[5-(phenyliminomethyl)furan-2-yl]methanimine
CID 13734816
dichloroiron;1-[5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]-N-[4-(trifluoromethyl)phenyl]ethanimine
CID 20701859
N-(2-fluorophenyl)-1-[5-[(2-fluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701907
N-(3-fluorophenyl)-1-[5-[(3-fluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 117607401
N-(4-fluorophenyl)-1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 117607404
1-[5-[(4-fluorophenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
CID 118602904
Benzenamine, N-[(5-methyl-2-furanyl)methylene]-4-(2-phenyldiazenyl)-
CID 6610626
N-(2,6-difluorophenyl)-1-[5-[N-(2,6-difluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
CID 20701895
N-(2-fluorophenyl)-1-[5-[N-(2-fluorophenyl)-C-methylcarbonimidoyl]furan-2-yl]ethanimine
CID 20701911
N-(4-methoxyphenyl)-1-[5-[(4-methoxyphenyl)iminomethyl]furan-2-yl]methanimine
CID 13734814
N-(4-methylphenyl)-1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]methanimine
CID 13734815

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron?
The IUPAC name of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron (CID 20702003) is N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron.
What is the SMILES notation for N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron?
The canonical SMILES for N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron is C/C(=N\c1ccccc1)c1ccc(/C(C)=N/C2CCCCC2)o1.Cl[Fe]Cl.
What is the InChIKey of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron?
The InChIKey is SNZARDYHRJGEGA-HESHWDSWSA-L. The full InChI is InChI=1S/C20H24N2O.2ClH.Fe/c1-15(21-17-9-5-3-6-10-17)19-13-14-20(23-19)16(2)22-18-11-7-4-8-12-18;;;/h3,5-6,9-10,13-14,18H,4,7-8,11-12H2,1-2H3;2*1H;/q;;;+2/p-2/b21-15+,22-16+;;;.
What are the key properties of N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron?
N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron has a molecular weight of 435.18 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(C-methyl-N-phenylcarbonimidoyl)furan-2-yl]ethanimine;dichloroiron is sourced from PubChem (CID 20702003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).