(E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine

C21H11Cl3F3N3O6 — CID 70685437

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N/OCc1ccccc1Cl
InChIInChI=1S/C21H11Cl3F3N3O6/c22-14-5-12(9-28-35-10-11-3-1-2-4-15(11)23)19(16(24)8-14)36-20-17(29(31)32)6-13(21(25,26)27)7-18(20)30(33)34/h1-9H,10H2/b28-9+
InChIKeyHMMPAROWXWOUSH-HIUVJMHLSA-N
MW564.69 g/mol
LogP7.82
Rot. Bonds8

About (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine

(E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine (PubChem CID 70685437) has the molecular formula C21H11Cl3F3N3O6 and a molecular weight of 564.69 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine
PubChem CID70685437
Molecular FormulaC21H11Cl3F3N3O6
Molecular Weight564.69 g/mol
Exact Mass562.97
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N/OCc1ccccc1Cl
InChIInChI=1S/C21H11Cl3F3N3O6/c22-14-5-12(9-28-35-10-11-3-1-2-4-15(11)23)19(16(24)8-14)36-20-17(29(31)32)6-13(21(25,26)27)7-18(20)30(33)34/h1-9H,10H2/b28-9+
InChIKeyHMMPAROWXWOUSH-HIUVJMHLSA-N
XLogP7.82
TPSA117.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine (CID 70685437) is (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine is O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N/OCc1ccccc1Cl.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine?
The InChIKey is HMMPAROWXWOUSH-HIUVJMHLSA-N. The full InChI is InChI=1S/C21H11Cl3F3N3O6/c22-14-5-12(9-28-35-10-11-3-1-2-4-15(11)23)19(16(24)8-14)36-20-17(29(31)32)6-13(21(25,26)27)7-18(20)30(33)34/h1-9H,10H2/b28-9+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine?
(E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine has a molecular weight of 564.69 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-1-[3,5-dichloro-2-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methanimine is sourced from PubChem (CID 70685437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).