dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine

C19H16Cl2FeN2O — CID 20702065

IUPACdichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
SMILESCc1ccc(/N=C/c2ccc(/C=N/c3ccccc3)o2)cc1.Cl[Fe]Cl
InChIInChI=1S/C19H16N2O.2ClH.Fe/c1-15-7-9-17(10-8-15)21-14-19-12-11-18(22-19)13-20-16-5-3-2-4-6-16;;;/h2-14H,1H3;2*1H;/q;;;+2/p-2/b20-13+,21-14+;;;
InChIKeyFGRIBMDQZWKSLU-YXWHRVGSSA-L
MW415.10 g/mol
LogP6.47
Rot. Bonds4

About dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine

dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine (PubChem CID 20702065) has the molecular formula C19H16Cl2FeN2O and a molecular weight of 415.10 g/mol. Its IUPAC name is dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine.

Molecular Properties

Compound Namedichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
PubChem CID20702065
Molecular FormulaC19H16Cl2FeN2O
Molecular Weight415.10 g/mol
Exact Mass414.00
IUPAC Namedichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine
SMILESCc1ccc(/N=C/c2ccc(/C=N/c3ccccc3)o2)cc1.Cl[Fe]Cl
InChIInChI=1S/C19H16N2O.2ClH.Fe/c1-15-7-9-17(10-8-15)21-14-19-12-11-18(22-19)13-20-16-5-3-2-4-6-16;;;/h2-14H,1H3;2*1H;/q;;;+2/p-2/b20-13+,21-14+;;;
InChIKeyFGRIBMDQZWKSLU-YXWHRVGSSA-L
XLogP6.47
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.10
LogP ≤ 56.47
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

1-(5-chlorofuran-2-yl)-N-(4-methylphenyl)methanimine
CID 14006827
N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine
CID 45119718
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
dichloroiron;N-(4-methylphenyl)-1-[5-[(4-methylphenyl)iminomethyl]thiophen-2-yl]methanimine
CID 20701988
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
dichloroiron;(E)-N-pyridin-2-yl-1-[5-[(2,4,6-trimethylphenyl)iminomethyl]furan-2-yl]methanimine
CID 20702025
1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
1-[1-benzyl-5-(phenyliminomethyl)-1,2,4-triazol-3-yl]-N-(4-methylphenyl)methanimine;dichloroiron
CID 18719288
4-[(5-methylfuran-2-yl)methylideneamino]phenol
CID 793223
dichloroiron;N-(2,6-difluorophenyl)-1-[5-[(2,6-difluorophenyl)iminomethyl]furan-2-yl]methanimine
CID 20701890
N-tert-butyl-1-[5-(tert-butyliminomethyl)furan-2-yl]methanimine;dichloroiron
CID 20702001

Frequently Asked Questions

What is the IUPAC name of dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
The IUPAC name of dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine (CID 20702065) is dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine.
What is the SMILES notation for dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
The canonical SMILES for dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine is Cc1ccc(/N=C/c2ccc(/C=N/c3ccccc3)o2)cc1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
The InChIKey is FGRIBMDQZWKSLU-YXWHRVGSSA-L. The full InChI is InChI=1S/C19H16N2O.2ClH.Fe/c1-15-7-9-17(10-8-15)21-14-19-12-11-18(22-19)13-20-16-5-3-2-4-6-16;;;/h2-14H,1H3;2*1H;/q;;;+2/p-2/b20-13+,21-14+;;;.
What are the key properties of dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine?
dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine has a molecular weight of 415.10 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1-[5-[(4-methylphenyl)iminomethyl]furan-2-yl]-N-phenylmethanimine is sourced from PubChem (CID 20702065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).