4-nitro-N'-(4-nitrobenzoyl)benzohydrazide

C14H10N4O6 — CID 3373596

IUPAC4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O6/c19-13(9-1-5-11(6-2-9)17(21)22)15-16-14(20)10-3-7-12(8-4-10)18(23)24/h1-8H,(H,15,19)(H,16,20)
InChIKeyTVWCBXOCFSQNHO-UHFFFAOYSA-N
MW330.26 g/mol
LogP1.58
Rot. Bonds4

About 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide

4-nitro-N'-(4-nitrobenzoyl)benzohydrazide (PubChem CID 3373596) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
PubChem CID3373596
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC Name4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O6/c19-13(9-1-5-11(6-2-9)17(21)22)15-16-14(20)10-3-7-12(8-4-10)18(23)24/h1-8H,(H,15,19)(H,16,20)
InChIKeyTVWCBXOCFSQNHO-UHFFFAOYSA-N
XLogP1.58
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
The IUPAC name of 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide (CID 3373596) is 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
The InChIKey is TVWCBXOCFSQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13(9-1-5-11(6-2-9)17(21)22)15-16-14(20)10-3-7-12(8-4-10)18(23)24/h1-8H,(H,15,19)(H,16,20).
What are the key properties of 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide?
4-nitro-N'-(4-nitrobenzoyl)benzohydrazide has a molecular weight of 330.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-(4-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3373596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).