2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide

C16H14N4O6 — CID 17385895

IUPAC2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O6/c1-10-13(3-2-4-14(10)20(25)26)16(22)18-17-15(21)9-11-5-7-12(8-6-11)19(23)24/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyBQVYYXXXLHWTMN-UHFFFAOYSA-N
MW358.31 g/mol
LogP1.82
Rot. Bonds5

About 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide

2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide (PubChem CID 17385895) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
PubChem CID17385895
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N4O6/c1-10-13(3-2-4-14(10)20(25)26)16(22)18-17-15(21)9-11-5-7-12(8-6-11)19(23)24/h2-8H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyBQVYYXXXLHWTMN-UHFFFAOYSA-N
XLogP1.82
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 51.82
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

N'-[2-(4-fluorophenyl)acetyl]-2-nitrobenzohydrazide
CID 26786259
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N'-(2-methyl-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4089645
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
4-nitro-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 3388381
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
1-(2-nitrophenyl)-2-(4-nitrophenyl)ethanone
CID 12844789
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2564378
N-(methoxymethoxy)-2-methyl-3-nitrobenzamide
CID 110495565
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
The IUPAC name of 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide (CID 17385895) is 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide.
What is the SMILES notation for 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
The canonical SMILES for 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide is Cc1c(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
The InChIKey is BQVYYXXXLHWTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c1-10-13(3-2-4-14(10)20(25)26)16(22)18-17-15(21)9-11-5-7-12(8-6-11)19(23)24/h2-8H,9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide?
2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide has a molecular weight of 358.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N'-[2-(4-nitrophenyl)acetyl]benzohydrazide is sourced from PubChem (CID 17385895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).