N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide

C13H9FN4O5 — CID 4507199

IUPACN'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O5/c14-9-3-1-8(2-4-9)13(19)16-15-11-6-5-10(17(20)21)7-12(11)18(22)23/h1-7,15H,(H,16,19)
InChIKeyBMJNJJJLJDDGBI-UHFFFAOYSA-N
MW320.24 g/mol
LogP2.40
Rot. Bonds5

About N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide

N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide (PubChem CID 4507199) has the molecular formula C13H9FN4O5 and a molecular weight of 320.24 g/mol. Its IUPAC name is N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
PubChem CID4507199
Molecular FormulaC13H9FN4O5
Molecular Weight320.24 g/mol
Exact Mass320.06
IUPAC NameN'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1
InChIInChI=1S/C13H9FN4O5/c14-9-3-1-8(2-4-9)13(19)16-15-11-6-5-10(17(20)21)7-12(11)18(22)23/h1-7,15H,(H,16,19)
InChIKeyBMJNJJJLJDDGBI-UHFFFAOYSA-N
XLogP2.40
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-(2,4-dinitrophenyl)-1,3-benzothiazole-6-carbohydrazide
CID 167771264
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 139082946
4-fluoro-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
CID 3644103
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
[2-(2,4-dinitrophenyl)hydrazinyl]phosphonic acid
CID 23421481
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
1-(2,4-dinitroanilino)-3-[4-(4-fluorophenoxy)cyclohexyl]urea
CID 59053633
N'-[6-[2-(4-fluorobenzoyl)hydrazinyl]-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22535520
N'-[2-nitro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzohydrazide
CID 29409169
N-(4-amino-2-nitrophenyl)-4-nitrobenzamide
CID 3089914
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
N'-(2-nitrophenyl)benzohydrazide
CID 3718054

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide (CID 4507199) is N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1.
What is the InChIKey of N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide?
The InChIKey is BMJNJJJLJDDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O5/c14-9-3-1-8(2-4-9)13(19)16-15-11-6-5-10(17(20)21)7-12(11)18(22)23/h1-7,15H,(H,16,19).
What are the key properties of N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide?
N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide has a molecular weight of 320.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dinitrophenyl)-4-fluorobenzohydrazide is sourced from PubChem (CID 4507199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).