2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide

C13H20N4O3 — CID 106331395

IUPAC2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
SMILESCCC(C)(CC)NC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H20N4O3/c1-4-13(3,5-2)15-12(18)9-7-6-8-10(17(19)20)11(9)16-14/h6-8,16H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyXNCWNKVMRFGPQU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds6

About 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide

2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide (PubChem CID 106331395) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
PubChem CID106331395
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
SMILESCCC(C)(CC)NC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C13H20N4O3/c1-4-13(3,5-2)15-12(18)9-7-6-8-10(17(19)20)11(9)16-14/h6-8,16H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyXNCWNKVMRFGPQU-UHFFFAOYSA-N
XLogP2.19
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
3-chloro-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 103738044
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-(1-bromo-3-methylpentan-3-yl)-2-nitrobenzamide
CID 106169348
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide (CID 106331395) is 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide is CCC(C)(CC)NC(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide?
The InChIKey is XNCWNKVMRFGPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-13(3,5-2)15-12(18)9-7-6-8-10(17(19)20)11(9)16-14/h6-8,16H,4-5,14H2,1-3H3,(H,15,18).
What are the key properties of 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide?
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 106331395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).