2-nitro-N'-(2-nitrobenzoyl)benzohydrazide

C14H10N4O6 — CID 3098256

IUPAC2-nitro-N'-(2-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O6/c19-13(9-5-1-3-7-11(9)17(21)22)15-16-14(20)10-6-2-4-8-12(10)18(23)24/h1-8H,(H,15,19)(H,16,20)
InChIKeyRFEJAIJGFMRDHP-UHFFFAOYSA-N
MW330.26 g/mol
LogP1.58
Rot. Bonds4

About 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide

2-nitro-N'-(2-nitrobenzoyl)benzohydrazide (PubChem CID 3098256) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-nitro-N'-(2-nitrobenzoyl)benzohydrazide
PubChem CID3098256
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC Name2-nitro-N'-(2-nitrobenzoyl)benzohydrazide
SMILESO=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10N4O6/c19-13(9-5-1-3-7-11(9)17(21)22)15-16-14(20)10-6-2-4-8-12(10)18(23)24/h1-8H,(H,15,19)(H,16,20)
InChIKeyRFEJAIJGFMRDHP-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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Related Compounds

2-Nitrobenzamide
CID 11876
o-Nitrobenzohydrazide
CID 3781218
Benzoic acid, 4-nitro-, hydrazide
CID 3693744
3-Nitrobenzohydrazide
CID 3291498
Benzoic acid, 2-amino-, hydrazide
CID 94728
Benquinox
CID 10320
N'-[(E)-(2-nitrophenyl)methylidene]benzohydrazide
CID 5332530
2-Nitrobenzenecarbohydroxamic acid
CID 10940975
3,5-Dinitrobenzohydrazide
CID 3329932
1,4-Phthalazinedione, 2,3-dihydro-5-nitro-
CID 3525223
N'-{3-nitrobenzoyl}cyclopropanecarbohydrazide
CID 5128885
N-(4-nitrobenzoyl)-N'-phenylhydrazine
CID 3401606

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide?
The IUPAC name of 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide (CID 3098256) is 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide is O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide?
The InChIKey is RFEJAIJGFMRDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13(9-5-1-3-7-11(9)17(21)22)15-16-14(20)10-6-2-4-8-12(10)18(23)24/h1-8H,(H,15,19)(H,16,20).
What are the key properties of 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide?
2-nitro-N'-(2-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 2-nitro-N'-(2-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 3098256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).