4-nitro-N'-phenylbenzohydrazide

C13H11N3O3 — CID 3401606

IUPAC4-nitro-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,14H,(H,15,17)
InChIKeyUMNDVZQMQWFSOH-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.35
Rot. Bonds4

About 4-nitro-N'-phenylbenzohydrazide

4-nitro-N'-phenylbenzohydrazide (PubChem CID 3401606) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-nitro-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-phenylbenzohydrazide
PubChem CID3401606
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name4-nitro-N'-phenylbenzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,14H,(H,15,17)
InChIKeyUMNDVZQMQWFSOH-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'}

Analyze 4-nitro-N'-phenylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-phenylbenzohydrazide?
The IUPAC name of 4-nitro-N'-phenylbenzohydrazide (CID 3401606) is 4-nitro-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-nitro-N'-phenylbenzohydrazide?
The canonical SMILES for 4-nitro-N'-phenylbenzohydrazide is O=C(NNc1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-phenylbenzohydrazide?
The InChIKey is UMNDVZQMQWFSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13(15-14-11-4-2-1-3-5-11)10-6-8-12(9-7-10)16(18)19/h1-9,14H,(H,15,17).
What are the key properties of 4-nitro-N'-phenylbenzohydrazide?
4-nitro-N'-phenylbenzohydrazide 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 4-nitro-N'-phenylbenzohydrazide is sourced from PubChem (CID 3401606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).