N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

C18H13ClFNO — CID 126018045

IUPACN-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESCc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl
InChIInChI=1S/C18H13ClFNO/c1-12-5-6-15(10-17(12)19)21-11-16-7-8-18(22-16)13-3-2-4-14(20)9-13/h2-11H,1H3/b21-11+
InChIKeyHVLKIECHLUSIFO-SRZZPIQSSA-N
MW313.76 g/mol
LogP5.80
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine

N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (PubChem CID 126018045) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
PubChem CID126018045
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine
SMILESCc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl
InChIInChI=1S/C18H13ClFNO/c1-12-5-6-15(10-17(12)19)21-11-16-7-8-18(22-16)13-3-2-4-14(20)9-13/h2-11H,1H3/b21-11+
InChIKeyHVLKIECHLUSIFO-SRZZPIQSSA-N
XLogP5.80
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.76
LogP ≤ 55.80
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-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine (CID 126018045) is N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is Cc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
The InChIKey is HVLKIECHLUSIFO-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-12-5-6-15(10-17(12)19)21-11-16-7-8-18(22-16)13-3-2-4-14(20)9-13/h2-11H,1H3/b21-11+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine?
N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine has a molecular weight of 313.76 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[5-(3-fluorophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 126018045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).