(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine

C17H16ClF2NO4 — CID 75394681

IUPAC(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
SMILESCOc1ccc(CO/N=C/c2ccc(OC(F)F)c(OC)c2)cc1Cl
InChIInChI=1S/C17H16ClF2NO4/c1-22-14-5-4-12(7-13(14)18)10-24-21-9-11-3-6-15(25-17(19)20)16(8-11)23-2/h3-9,17H,10H2,1-2H3/b21-9+
InChIKeyNZZJHXVQRMIHCI-ZVBGSRNCSA-N
MW371.77 g/mol
LogP4.51
Rot. Bonds8

About (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine

(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine (PubChem CID 75394681) has the molecular formula C17H16ClF2NO4 and a molecular weight of 371.77 g/mol. Its IUPAC name is (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine.

Molecular Properties

Compound Name(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
PubChem CID75394681
Molecular FormulaC17H16ClF2NO4
Molecular Weight371.77 g/mol
Exact Mass371.07
IUPAC Name(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
SMILESCOc1ccc(CO/N=C/c2ccc(OC(F)F)c(OC)c2)cc1Cl
InChIInChI=1S/C17H16ClF2NO4/c1-22-14-5-4-12(7-13(14)18)10-24-21-9-11-3-6-15(25-17(19)20)16(8-11)23-2/h3-9,17H,10H2,1-2H3/b21-9+
InChIKeyNZZJHXVQRMIHCI-ZVBGSRNCSA-N
XLogP4.51
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045
(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
CID 75535927
methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
CID 7665331
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
N-(2-chloro-4,6-dimethylphenyl)-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 24606445
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7665174
(E)-N-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-1-(3,4-dimethoxyphenyl)methanimine
CID 42923821

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
The IUPAC name of (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine (CID 75394681) is (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine.
What is the SMILES notation for (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
The canonical SMILES for (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine is COc1ccc(CO/N=C/c2ccc(OC(F)F)c(OC)c2)cc1Cl.
What is the InChIKey of (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
The InChIKey is NZZJHXVQRMIHCI-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H16ClF2NO4/c1-22-14-5-4-12(7-13(14)18)10-24-21-9-11-3-6-15(25-17(19)20)16(8-11)23-2/h3-9,17H,10H2,1-2H3/b21-9+.
What are the key properties of (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine has a molecular weight of 371.77 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine is sourced from PubChem (CID 75394681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).