1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine

C19H13FN2O2 — CID 21177104

IUPAC1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/N=C/c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C19H13FN2O2/c20-17-7-1-14(2-8-17)13-21-18-9-3-15(4-10-18)16-5-11-19(12-6-16)22(23)24/h1-13H/b21-13+
InChIKeyMJIVDLOOETXRKO-FYJGNVAPSA-N
MW320.32 g/mol
LogP5.15
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine

1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine (PubChem CID 21177104) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
PubChem CID21177104
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/N=C/c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C19H13FN2O2/c20-17-7-1-14(2-8-17)13-21-18-9-3-15(4-10-18)16-5-11-19(12-6-16)22(23)24/h1-13H/b21-13+
InChIKeyMJIVDLOOETXRKO-FYJGNVAPSA-N
XLogP5.15
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.32
LogP ≤ 55.15
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'}

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Related Compounds

1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
N-(4-iodophenyl)-1-(4-nitrophenyl)methanimine
CID 554970
4-[(4-nitrophenyl)iminomethyl]aniline
CID 15515058
1-(4-nitrophenyl)-N-[4-(2-phenylpyrimidin-5-yl)phenyl]methanimine
CID 1377873
1-[4-[(4-nitrophenyl)methylideneamino]phenyl]ethanone
CID 620155
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
1-(4-nitrophenyl)-N-[4-[10,15,20-tris[4-[(4-nitrophenyl)methylideneamino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanimine
CID 102431151
1-(2-chloro-5-nitrophenyl)-N-(4-fluorophenyl)methanimine
CID 792316
4-[(4-nitrophenyl)methylideneamino]-N-phenylaniline
CID 787997
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
N-naphthalen-2-yl-1-(4-nitrophenyl)methanimine
CID 826826

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine (CID 21177104) is 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine is O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine?
The InChIKey is MJIVDLOOETXRKO-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-17-7-1-14(2-8-17)13-21-18-9-3-15(4-10-18)16-5-11-19(12-6-16)22(23)24/h1-13H/b21-13+.
What are the key properties of 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine?
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine has a molecular weight of 320.32 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine is sourced from PubChem (CID 21177104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).