N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine

C13H9FN2O2 — CID 794265

IUPACN-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16(17)18/h1-9H/b15-9+
InChIKeyIRUHRDJZSLIDNH-OQLLNIDSSA-N
MW244.23 g/mol
LogP3.48
Rot. Bonds3

About N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine

N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine (PubChem CID 794265) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
PubChem CID794265
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC NameN-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16(17)18/h1-9H/b15-9+
InChIKeyIRUHRDJZSLIDNH-OQLLNIDSSA-N
XLogP3.48
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-1-(2-nitrophenyl)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

1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 520164
N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
1-(2-nitrophenyl)-N-[4-[6-[4-[(2-nitrophenyl)methylideneamino]phenyl]pyrimidin-4-yl]phenyl]methanimine
CID 45146285
N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
CID 1378215
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
1-(2-nitrophenyl)-N-(2-phenyl-3H-benzimidazol-5-yl)methanimine
CID 4067599
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
5-[(E)-(2-nitrophenyl)methylideneamino]-1,3,4-thiadiazol-2-amine
CID 117059661

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine (CID 794265) is N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine is O=[N+]([O-])c1ccccc1/C=N/c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is IRUHRDJZSLIDNH-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H9FN2O2/c14-11-5-7-12(8-6-11)15-9-10-3-1-2-4-13(10)16(17)18/h1-9H/b15-9+.
What are the key properties of N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine?
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine has a molecular weight of 244.23 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 794265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).