N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

C16H15ClFNO3 — CID 1278796

IUPACN-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C16H15ClFNO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-11-4-5-13(18)12(17)8-11/h4-9H,1-3H3/b19-9+
InChIKeyYYVWDGSXGHYFJR-DJKKODMXSA-N
MW323.75 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine

N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 1278796) has the molecular formula C16H15ClFNO3 and a molecular weight of 323.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID1278796
Molecular FormulaC16H15ClFNO3
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C16H15ClFNO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-11-4-5-13(18)12(17)8-11/h4-9H,1-3H3/b19-9+
InChIKeyYYVWDGSXGHYFJR-DJKKODMXSA-N
XLogP4.26
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine (CID 1278796) is N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is YYVWDGSXGHYFJR-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15ClFNO3/c1-20-14-6-10(7-15(21-2)16(14)22-3)9-19-11-4-5-13(18)12(17)8-11/h4-9H,1-3H3/b19-9+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine?
N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 323.75 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 1278796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).