4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide

C15H12N4O6 — CID 3388381

IUPAC4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6/c20-14(9-11-3-1-2-4-13(11)19(24)25)16-17-15(21)10-5-7-12(8-6-10)18(22)23/h1-8H,9H2,(H,16,20)(H,17,21)
InChIKeyOSFFPXSCVMCCPK-UHFFFAOYSA-N
MW344.28 g/mol
LogP1.51
Rot. Bonds5

About 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide

4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide (PubChem CID 3388381) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
PubChem CID3388381
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6/c20-14(9-11-3-1-2-4-13(11)19(24)25)16-17-15(21)10-5-7-12(8-6-10)18(22)23/h1-8H,9H2,(H,16,20)(H,17,21)
InChIKeyOSFFPXSCVMCCPK-UHFFFAOYSA-N
XLogP1.51
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 51.51
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

4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 7972085
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
2,5-dimethyl-N'-[2-(2-nitrophenyl)acetyl]furan-3-carbohydrazide
CID 4808584
4-nitro-N'-(2-pyridin-2-ylsulfanylacetyl)benzohydrazide
CID 4173331
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
CID 17385895
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
N-(2,6-dinitrophenyl)-4-nitrobenzamide
CID 3089919
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide?
The IUPAC name of 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide (CID 3388381) is 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide?
The canonical SMILES for 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide is O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide?
The InChIKey is OSFFPXSCVMCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c20-14(9-11-3-1-2-4-13(11)19(24)25)16-17-15(21)10-5-7-12(8-6-10)18(22)23/h1-8H,9H2,(H,16,20)(H,17,21).
What are the key properties of 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide?
4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide has a molecular weight of 344.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide is sourced from PubChem (CID 3388381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).