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

C15H12FN3O3 — CID 3644103

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

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

4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide (PubChem CID 3644103) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
PubChem CID3644103
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
SMILESC=C(NNC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12FN3O3/c1-10(11-4-8-14(9-5-11)19(21)22)17-18-15(20)12-2-6-13(16)7-3-12/h2-9,17H,1H2,(H,18,20)
InChIKeyFHNSZUCFGNTUGT-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-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N'-[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22535520
N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
CID 4507199
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
1-(18F)fluoro-4-nitrobenzene;methane
CID 157351409
4-fluoro-N-[4-(4-nitrophenyl)sulfonylphenyl]benzamide
CID 8922506
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide (CID 3644103) is 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide is C=C(NNC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide?
The InChIKey is FHNSZUCFGNTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-10(11-4-8-14(9-5-11)19(21)22)17-18-15(20)12-2-6-13(16)7-3-12/h2-9,17H,1H2,(H,18,20).
What are the key properties of 4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide?
4-fluoro-N'-[1-(4-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-(4-nitrophenyl)ethenyl]benzohydrazide is sourced from PubChem (CID 3644103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).