2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline

C26H20F2N4 — CID 146304256

IUPAC2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
SMILESFc1ccccc1N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C26H20F2N4/c27-23-5-1-3-7-25(23)31-29-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-30-32-26-8-4-2-6-24(26)28/h1-18,31-32H/b29-17+,30-18+
InChIKeyRRKCLLFZROAJHM-YAGSLNJISA-N
MW426.47 g/mol
LogP6.52
Rot. Bonds7

About 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline

2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline (PubChem CID 146304256) has the molecular formula C26H20F2N4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
PubChem CID146304256
Molecular FormulaC26H20F2N4
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline
SMILESFc1ccccc1N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccccc3F)cc2)cc1
InChIInChI=1S/C26H20F2N4/c27-23-5-1-3-7-25(23)31-29-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-30-32-26-8-4-2-6-24(26)28/h1-18,31-32H/b29-17+,30-18+
InChIKeyRRKCLLFZROAJHM-YAGSLNJISA-N
XLogP6.52
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The IUPAC name of 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline (CID 146304256) is 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The canonical SMILES for 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline is Fc1ccccc1N/N=C/c1ccc(-c2ccc(/C=N/Nc3ccccc3F)cc2)cc1.
What is the InChIKey of 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
The InChIKey is RRKCLLFZROAJHM-YAGSLNJISA-N. The full InChI is InChI=1S/C26H20F2N4/c27-23-5-1-3-7-25(23)31-29-17-19-9-13-21(14-10-19)22-15-11-20(12-16-22)18-30-32-26-8-4-2-6-24(26)28/h1-18,31-32H/b29-17+,30-18+.
What are the key properties of 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline?
2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline has a molecular weight of 426.47 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(E)-[4-[4-[(E)-[(2-fluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 146304256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).