N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine

C21H16Cl2FNO2 — CID 3388817

IUPACN-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F
InChIInChI=1S/C21H16Cl2FNO2/c1-26-21-10-14(12-25-16-7-8-17(22)18(23)11-16)6-9-20(21)27-13-15-4-2-3-5-19(15)24/h2-12H,13H2,1H3/b25-12+
InChIKeyUEVREEIQLIAADQ-BRJLIKDPSA-N
MW404.27 g/mol
LogP6.47
Rot. Bonds6

About N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine

N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine (PubChem CID 3388817) has the molecular formula C21H16Cl2FNO2 and a molecular weight of 404.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
PubChem CID3388817
Molecular FormulaC21H16Cl2FNO2
Molecular Weight404.27 g/mol
Exact Mass403.05
IUPAC NameN-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
SMILESCOc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F
InChIInChI=1S/C21H16Cl2FNO2/c1-26-21-10-14(12-25-16-7-8-17(22)18(23)11-16)6-9-20(21)27-13-15-4-2-3-5-19(15)24/h2-12H,13H2,1H3/b25-12+
InChIKeyUEVREEIQLIAADQ-BRJLIKDPSA-N
XLogP6.47
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine (CID 3388817) is N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine is COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
The InChIKey is UEVREEIQLIAADQ-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H16Cl2FNO2/c1-26-21-10-14(12-25-16-7-8-17(22)18(23)11-16)6-9-20(21)27-13-15-4-2-3-5-19(15)24/h2-12H,13H2,1H3/b25-12+.
What are the key properties of N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine?
N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine has a molecular weight of 404.27 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine is sourced from PubChem (CID 3388817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).