N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine

C15H12ClF2NO — CID 101462836

IUPACN-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine
SMILESCOc1cc(F)cc(F)c1/C=N/Cc1ccccc1Cl
InChIInChI=1S/C15H12ClF2NO/c1-20-15-7-11(17)6-14(18)12(15)9-19-8-10-4-2-3-5-13(10)16/h2-7,9H,8H2,1H3/b19-9+
InChIKeyLRDZKJPGONSXLZ-DJKKODMXSA-N
MW295.72 g/mol
LogP4.25
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine

N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine (PubChem CID 101462836) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine
PubChem CID101462836
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine
SMILESCOc1cc(F)cc(F)c1/C=N/Cc1ccccc1Cl
InChIInChI=1S/C15H12ClF2NO/c1-20-15-7-11(17)6-14(18)12(15)9-19-8-10-4-2-3-5-13(10)16/h2-7,9H,8H2,1H3/b19-9+
InChIKeyLRDZKJPGONSXLZ-DJKKODMXSA-N
XLogP4.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 54.25
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-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine (CID 101462836) is N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine is COc1cc(F)cc(F)c1/C=N/Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine?
The InChIKey is LRDZKJPGONSXLZ-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-20-15-7-11(17)6-14(18)12(15)9-19-8-10-4-2-3-5-13(10)16/h2-7,9H,8H2,1H3/b19-9+.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine?
N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine has a molecular weight of 295.72 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,4-difluoro-6-methoxyphenyl)methanimine is sourced from PubChem (CID 101462836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).