N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine

C20H13Cl2F3N2O2 — CID 53396668

IUPACN-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine
SMILESFC(F)(F)c1cnc(Oc2ccc(C=NOCc3ccc(Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2F3N2O2/c21-16-5-1-14(2-6-16)12-28-27-10-13-3-7-17(8-4-13)29-19-18(22)9-15(11-26-19)20(23,24)25/h1-11H,12H2
InChIKeyVPGFVFWLYFQUCD-UHFFFAOYSA-N
MW441.24 g/mol
LogP6.75
Rot. Bonds6

About N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine

N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine (PubChem CID 53396668) has the molecular formula C20H13Cl2F3N2O2 and a molecular weight of 441.24 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine
PubChem CID53396668
Molecular FormulaC20H13Cl2F3N2O2
Molecular Weight441.24 g/mol
Exact Mass440.03
IUPAC NameN-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine
SMILESFC(F)(F)c1cnc(Oc2ccc(C=NOCc3ccc(Cl)cc3)cc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2F3N2O2/c21-16-5-1-14(2-6-16)12-28-27-10-13-3-7-17(8-4-13)29-19-18(22)9-15(11-26-19)20(23,24)25/h1-11H,12H2
InChIKeyVPGFVFWLYFQUCD-UHFFFAOYSA-N
XLogP6.75
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
(E)-3-(4-chlorophenyl)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]prop-2-en-1-one
CID 6066661
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine
CID 53396665
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619386
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine (CID 53396668) is N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine is FC(F)(F)c1cnc(Oc2ccc(C=NOCc3ccc(Cl)cc3)cc2)c(Cl)c1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine?
The InChIKey is VPGFVFWLYFQUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O2/c21-16-5-1-14(2-6-16)12-28-27-10-13-3-7-17(8-4-13)29-19-18(22)9-15(11-26-19)20(23,24)25/h1-11H,12H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine?
N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine has a molecular weight of 441.24 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine is sourced from PubChem (CID 53396668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).