5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile

C20H14FN3 — CID 86624320

IUPAC5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile
SMILESN#Cc1cc(NN=C(c2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C20H14FN3/c21-19-12-11-18(13-17(19)14-22)23-24-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,23H
InChIKeyMACOQKREHMMMLL-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.56
Rot. Bonds4

About 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile

5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile (PubChem CID 86624320) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile
PubChem CID86624320
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile
SMILESN#Cc1cc(NN=C(c2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C20H14FN3/c21-19-12-11-18(13-17(19)14-22)23-24-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,23H
InChIKeyMACOQKREHMMMLL-UHFFFAOYSA-N
XLogP4.56
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile?
The IUPAC name of 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile (CID 86624320) is 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile?
The canonical SMILES for 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile is N#Cc1cc(NN=C(c2ccccc2)c2ccccc2)ccc1F.
What is the InChIKey of 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile?
The InChIKey is MACOQKREHMMMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-19-12-11-18(13-17(19)14-22)23-24-20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,23H.
What are the key properties of 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile?
5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile has a molecular weight of 315.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzhydrylidenehydrazinyl)-2-fluorobenzonitrile is sourced from PubChem (CID 86624320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).