N'-(4-nitrophenyl)benzohydrazide

C13H11N3O3 — CID 5185538

IUPACN'-(4-nitrophenyl)benzohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H11N3O3/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(9-7-11)16(18)19/h1-9,14H,(H,15,17)
InChIKeyJJMHIEVGMFNTRR-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.35
Rot. Bonds4

About N'-(4-nitrophenyl)benzohydrazide

N'-(4-nitrophenyl)benzohydrazide (PubChem CID 5185538) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N'-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)benzohydrazide
PubChem CID5185538
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN'-(4-nitrophenyl)benzohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C13H11N3O3/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(9-7-11)16(18)19/h1-9,14H,(H,15,17)
InChIKeyJJMHIEVGMFNTRR-UHFFFAOYSA-N
XLogP2.35
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)benzohydrazide?
The IUPAC name of N'-(4-nitrophenyl)benzohydrazide (CID 5185538) is N'-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for N'-(4-nitrophenyl)benzohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-(4-nitrophenyl)benzohydrazide?
The InChIKey is JJMHIEVGMFNTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(10-4-2-1-3-5-10)15-14-11-6-8-12(9-7-11)16(18)19/h1-9,14H,(H,15,17).
What are the key properties of N'-(4-nitrophenyl)benzohydrazide?
N'-(4-nitrophenyl)benzohydrazide has a molecular weight of 257.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 5185538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).