N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

C17H11ClFNO — CID 126017607

IUPACN-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESFc1cccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H11ClFNO/c18-13-4-2-6-15(10-13)20-11-16-7-8-17(21-16)12-3-1-5-14(19)9-12/h1-11H/b20-11+
InChIKeyFJXKQZJIPNWKIQ-RGVLZGJSSA-N
MW299.73 g/mol
LogP5.49
Rot. Bonds3

About N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (PubChem CID 126017607) has the molecular formula C17H11ClFNO and a molecular weight of 299.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
PubChem CID126017607
Molecular FormulaC17H11ClFNO
Molecular Weight299.73 g/mol
Exact Mass299.05
IUPAC NameN-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESFc1cccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H11ClFNO/c18-13-4-2-6-15(10-13)20-11-16-7-8-17(21-16)12-3-1-5-14(19)9-12/h1-11H/b20-11+
InChIKeyFJXKQZJIPNWKIQ-RGVLZGJSSA-N
XLogP5.49
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.73
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (CID 126017607) is N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is Fc1cccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The InChIKey is FJXKQZJIPNWKIQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H11ClFNO/c18-13-4-2-6-15(10-13)20-11-16-7-8-17(21-16)12-3-1-5-14(19)9-12/h1-11H/b20-11+.
What are the key properties of N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine has a molecular weight of 299.73 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 126017607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).