N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide

C16H12FN3O — CID 2588432

IUPACN'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H12FN3O/c1-11(13-4-2-12(10-18)3-5-13)19-20-16(21)14-6-8-15(17)9-7-14/h2-9,19H,1H2,(H,20,21)
InChIKeyIKGISBUCXCYPHM-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.60
Rot. Bonds4

About N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide

N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide (PubChem CID 2588432) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
PubChem CID2588432
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC NameN'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C16H12FN3O/c1-11(13-4-2-12(10-18)3-5-13)19-20-16(21)14-6-8-15(17)9-7-14/h2-9,19H,1H2,(H,20,21)
InChIKeyIKGISBUCXCYPHM-UHFFFAOYSA-N
XLogP2.60
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103
N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate
CID 2589936
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
CID 166209290
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
N'-[1-(4-fluorophenyl)ethenyl]methanesulfonohydrazide
CID 2245502

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide (CID 2588432) is N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide is C=C(NNC(=O)c1ccc(F)cc1)c1ccc(C#N)cc1.
What is the InChIKey of N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide?
The InChIKey is IKGISBUCXCYPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-11(13-4-2-12(10-18)3-5-13)19-20-16(21)14-6-8-15(17)9-7-14/h2-9,19H,1H2,(H,20,21).
What are the key properties of N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide?
N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide has a molecular weight of 281.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 2588432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).