N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine

C17H15Cl2FN2O — CID 126139532

IUPACN-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1
InChIInChI=1S/C17H15Cl2FN2O/c18-14-3-2-13(10-15(14)19)21-11-12-1-4-17(16(20)9-12)22-5-7-23-8-6-22/h1-4,9-11H,5-8H2/b21-11+
InChIKeyPKRUFVXGWLEKGY-SRZZPIQSSA-N
MW353.22 g/mol
LogP4.72
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine

N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine (PubChem CID 126139532) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
PubChem CID126139532
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC NameN-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1
InChIInChI=1S/C17H15Cl2FN2O/c18-14-3-2-13(10-15(14)19)21-11-12-1-4-17(16(20)9-12)22-5-7-23-8-6-22/h1-4,9-11H,5-8H2/b21-11+
InChIKeyPKRUFVXGWLEKGY-SRZZPIQSSA-N
XLogP4.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 54.72
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-(3-fluoro-4-morpholin-4-ylphenyl)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-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126130017
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126135963
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126145909
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320
5-chloro-2-[(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]phenol
CID 126146571
N-[4-(1-adamantyl)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 4683800
N-(3,4-dimethylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072584
N-(4-fluoro-3-methylphenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126072704
N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126089759
2,4-dichloro-N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126136661
4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 4250391

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine (CID 126139532) is N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine is Fc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1N1CCOCC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is PKRUFVXGWLEKGY-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c18-14-3-2-13(10-15(14)19)21-11-12-1-4-17(16(20)9-12)22-5-7-23-8-6-22/h1-4,9-11H,5-8H2/b21-11+.
What are the key properties of N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine?
N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 353.22 g/mol, XLogP of 4.72, 3 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-(3-fluoro-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126139532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).