(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine

C22H16Cl4N2O2 — CID 66554989

IUPAC(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine
SMILESClc1ccc(CO/N=C/c2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C22H16Cl4N2O2/c23-19-7-5-17(21(25)9-19)13-29-27-11-15-1-2-16(4-3-15)12-28-30-14-18-6-8-20(24)10-22(18)26/h1-12H,13-14H2/b27-11+,28-12+
InChIKeyLXBTVRHREIRRPD-NXMZODBASA-N
MW482.19 g/mol
LogP7.40
Rot. Bonds8

About (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine

(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine (PubChem CID 66554989) has the molecular formula C22H16Cl4N2O2 and a molecular weight of 482.19 g/mol. Its IUPAC name is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine
PubChem CID66554989
Molecular FormulaC22H16Cl4N2O2
Molecular Weight482.19 g/mol
Exact Mass480.00
IUPAC Name(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine
SMILESClc1ccc(CO/N=C/c2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1
InChIInChI=1S/C22H16Cl4N2O2/c23-19-7-5-17(21(25)9-19)13-29-27-11-15-1-2-16(4-3-15)12-28-30-14-18-6-8-20(24)10-22(18)26/h1-12H,13-14H2/b27-11+,28-12+
InChIKeyLXBTVRHREIRRPD-NXMZODBASA-N
XLogP7.40
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.19
LogP ≤ 57.40
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

N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
CID 2804487
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 95704521
O-benzyl 4-chlorobenzaldoxime
CID 73110771
O-benzyl 2-chlorobenzaldoxime
CID 75981000
(E)-N-[(2-chloro-6-fluorophenyl)methoxy]-1-(2,4-dichlorophenyl)methanimine
CID 9583452
N-[(4-chlorophenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 173610113
N-[(2-chlorophenyl)methoxy]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 173610119
N-[(4-chlorophenyl)methoxy]-1-[4-(difluoromethyl)phenyl]methanimine
CID 173610171
N-[(2-chlorophenyl)methoxy]-1-[4-(difluoromethyl)phenyl]methanimine
CID 173610199
O-benzyl 2,4-dichlorobenzaldoxime
CID 75981018
(1e,4e)-1,5-diphenylpenta-1,4-dien-3-one O-(2,6-dichlorobenzyl) oxime
CID 138377267
(1e,4e)-1,5-diphenylpenta-1,4-dien-3-one O-(2,4-dichlorobenzyl) oxime
CID 138377268

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine?
The IUPAC name of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine (CID 66554989) is (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine.
What is the SMILES notation for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine?
The canonical SMILES for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine is Clc1ccc(CO/N=C/c2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2)c(Cl)c1.
What is the InChIKey of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine?
The InChIKey is LXBTVRHREIRRPD-NXMZODBASA-N. The full InChI is InChI=1S/C22H16Cl4N2O2/c23-19-7-5-17(21(25)9-19)13-29-27-11-15-1-2-16(4-3-15)12-28-30-14-18-6-8-20(24)10-22(18)26/h1-12H,13-14H2/b27-11+,28-12+.
What are the key properties of (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine?
(E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine has a molecular weight of 482.19 g/mol, XLogP of 7.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dichlorophenyl)methoxy]-1-[4-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]phenyl]methanimine is sourced from PubChem (CID 66554989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).