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

C16H14ClF2NO3 — CID 76856045

IUPACN-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
SMILESCOc1cc(C=NOCc2cccc(Cl)c2)ccc1OC(F)F
InChIInChI=1S/C16H14ClF2NO3/c1-21-15-8-11(5-6-14(15)23-16(18)19)9-20-22-10-12-3-2-4-13(17)7-12/h2-9,16H,10H2,1H3
InChIKeyFOZQAWWSUGTYKY-UHFFFAOYSA-N
MW341.74 g/mol
LogP4.50
Rot. Bonds7

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

N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine (PubChem CID 76856045) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
PubChem CID76856045
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC NameN-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
SMILESCOc1cc(C=NOCc2cccc(Cl)c2)ccc1OC(F)F
InChIInChI=1S/C16H14ClF2NO3/c1-21-15-8-11(5-6-14(15)23-16(18)19)9-20-22-10-12-3-2-4-13(17)7-12/h2-9,16H,10H2,1H3
InChIKeyFOZQAWWSUGTYKY-UHFFFAOYSA-N
XLogP4.50
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 54.50
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)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 75394681
(E)-1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropoxy)methanimine
CID 75535927
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
N-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 42967731
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 7665154
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
1-[3-[[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]-4-methoxyphenyl]ethanone
CID 6905479
methyl 5-[[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxymethyl]furan-2-carboxylate
CID 7665331
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
CID 78766572
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-pentan-3-ylacetamide
CID 2438469
(E)-1-(4-chlorophenyl)-N-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methoxy]methanimine
CID 78817364

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
The IUPAC name of N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine (CID 76856045) is N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine.
What is the SMILES notation for N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
The canonical SMILES for N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine is COc1cc(C=NOCc2cccc(Cl)c2)ccc1OC(F)F.
What is the InChIKey of N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
The InChIKey is FOZQAWWSUGTYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c1-21-15-8-11(5-6-14(15)23-16(18)19)9-20-22-10-12-3-2-4-13(17)7-12/h2-9,16H,10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine?
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine has a molecular weight of 341.74 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine is sourced from PubChem (CID 76856045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).