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

C20H13Cl2F3N2O — CID 53396665

IUPACN-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine
SMILESFC(F)(F)c1cnc(-c2ccc(C=NOCc3ccccc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2F3N2O/c21-17-4-2-1-3-15(17)12-28-27-10-13-5-7-14(8-6-13)19-18(22)9-16(11-26-19)20(23,24)25/h1-11H,12H2
InChIKeyURUBEKJNXKRDKP-UHFFFAOYSA-N
MW425.24 g/mol
LogP6.62
Rot. Bonds5

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

N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine (PubChem CID 53396665) has the molecular formula C20H13Cl2F3N2O and a molecular weight of 425.24 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine
PubChem CID53396665
Molecular FormulaC20H13Cl2F3N2O
Molecular Weight425.24 g/mol
Exact Mass424.04
IUPAC NameN-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine
SMILESFC(F)(F)c1cnc(-c2ccc(C=NOCc3ccccc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C20H13Cl2F3N2O/c21-17-4-2-1-3-15(17)12-28-27-10-13-5-7-14(8-6-13)19-18(22)9-16(11-26-19)20(23,24)25/h1-11H,12H2
InChIKeyURUBEKJNXKRDKP-UHFFFAOYSA-N
XLogP6.62
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.24
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
N-[(4-chlorophenyl)methoxy]-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanimine
CID 53396668
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
methyl 4-[(E)-(2-chlorophenyl)methoxyiminomethyl]benzoate
CID 6905476
2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide
CID 87950496
N-[(2-chlorophenyl)methoxy]-1-(4-morpholin-4-ylphenyl)methanimine
CID 78766659
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea
CID 135473476
3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propan-1-ol
CID 10883544
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine (CID 53396665) is N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine is FC(F)(F)c1cnc(-c2ccc(C=NOCc3ccccc3Cl)cc2)c(Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine?
The InChIKey is URUBEKJNXKRDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N2O/c21-17-4-2-1-3-15(17)12-28-27-10-13-5-7-14(8-6-13)19-18(22)9-16(11-26-19)20(23,24)25/h1-11H,12H2.
What are the key properties of N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine?
N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine has a molecular weight of 425.24 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine is sourced from PubChem (CID 53396665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).