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

C15H13ClFNO2 — CID 78766572

IUPAC1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
SMILESCOc1ccc(CON=Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H13ClFNO2/c1-19-15-7-4-12(8-14(15)17)10-20-18-9-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKeyYZWNYTFBGNQBCB-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.04
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine (PubChem CID 78766572) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
PubChem CID78766572
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine
SMILESCOc1ccc(CON=Cc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H13ClFNO2/c1-19-15-7-4-12(8-14(15)17)10-20-18-9-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3
InChIKeyYZWNYTFBGNQBCB-UHFFFAOYSA-N
XLogP4.04
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.04
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

1-(4-chlorophenyl)-N-[(3-chlorophenyl)methoxy]methanimine
CID 76856286
(Z)-1-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-chlorophenyl)methoxy]methanimine
CID 7702644
(E)-N-[(3-bromo-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 60523490
(E)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methoxy]methanimine
CID 134051370
(E)-N-[(3-chloro-4-methoxyphenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 75394681
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
N-[(3-chlorophenyl)methoxy]-1-[4-(difluoromethoxy)-3-methoxyphenyl]methanimine
CID 76856045
N-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856157
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
4-[[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxymethyl]benzamide
CID 24605944
1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine (CID 78766572) is 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine is COc1ccc(CON=Cc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine?
The InChIKey is YZWNYTFBGNQBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-19-15-7-4-12(8-14(15)17)10-20-18-9-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine?
1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine has a molecular weight of 293.73 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methoxy]methanimine is sourced from PubChem (CID 78766572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).