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

C13H20N4O3 — CID 106331363

IUPAC5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
SMILESCCC(C)(CC)NC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-4-13(3,5-2)15-12(18)10-8-9(16-14)6-7-11(10)17(19)20/h6-8,16H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyJWRSLGZRVCIHMZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds6

About 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide

5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide (PubChem CID 106331363) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
PubChem CID106331363
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
SMILESCCC(C)(CC)NC(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O3/c1-4-13(3,5-2)15-12(18)10-8-9(16-14)6-7-11(10)17(19)20/h6-8,16H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyJWRSLGZRVCIHMZ-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'}

Analyze 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
CID 104829982
4-fluoro-5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331390
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384
N-(2-ethoxypropyl)-5-hydrazinyl-2-nitrobenzamide
CID 113478196
5-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]-2-nitrobenzamide
CID 62249335
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
5-hydrazinyl-N-(5-methylhexyl)-2-nitrobenzamide
CID 115327339
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
The IUPAC name of 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide (CID 106331363) is 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
The canonical SMILES for 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide is CCC(C)(CC)NC(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
The InChIKey is JWRSLGZRVCIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-13(3,5-2)15-12(18)10-8-9(16-14)6-7-11(10)17(19)20/h6-8,16H,4-5,14H2,1-3H3,(H,15,18).
What are the key properties of 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide?
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-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 5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 106331363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).