4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide

C15H12FN3O3 — CID 5087058

IUPAC4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O3/c1-10(12-3-2-4-14(9-12)19(21)22)17-18-15(20)11-5-7-13(16)8-6-11/h2-9,17H,1H2,(H,18,20)
InChIKeyNOIWNAMKKOHEFE-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.64
Rot. Bonds5

About 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide

4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide (PubChem CID 5087058) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
PubChem CID5087058
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12FN3O3/c1-10(12-3-2-4-14(9-12)19(21)22)17-18-15(20)11-5-7-13(16)8-6-11/h2-9,17H,1H2,(H,18,20)
InChIKeyNOIWNAMKKOHEFE-UHFFFAOYSA-N
XLogP2.64
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103
4-fluoro-N-[3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 18275153
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
N-[3-[1-[2-(4-fluorobenzoyl)hydrazinyl]ethenyl]phenyl]acetamide
CID 2690799
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
N'-[2-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
4-chloro-3-nitro-N'-(3-nitrobenzoyl)benzohydrazide
CID 3381280
N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
CID 4507199

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide (CID 5087058) is 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide is C=C(NNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide?
The InChIKey is NOIWNAMKKOHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-10(12-3-2-4-14(9-12)19(21)22)17-18-15(20)11-5-7-13(16)8-6-11/h2-9,17H,1H2,(H,18,20).
What are the key properties of 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide?
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide has a molecular weight of 301.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide is sourced from PubChem (CID 5087058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).