2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide

C13H18N4O3 — CID 115937216

IUPAC2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
SMILESCC1(NC(=O)c2cccc([N+](=O)[O-])c2NN)CCCC1
InChIInChI=1S/C13H18N4O3/c1-13(7-2-3-8-13)15-12(18)9-5-4-6-10(17(19)20)11(9)16-14/h4-6,16H,2-3,7-8,14H2,1H3,(H,15,18)
InChIKeyZOIACASBBWUBLI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.94
Rot. Bonds4

About 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide

2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide (PubChem CID 115937216) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
PubChem CID115937216
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
SMILESCC1(NC(=O)c2cccc([N+](=O)[O-])c2NN)CCCC1
InChIInChI=1S/C13H18N4O3/c1-13(7-2-3-8-13)15-12(18)9-5-4-6-10(17(19)20)11(9)16-14/h4-6,16H,2-3,7-8,14H2,1H3,(H,15,18)
InChIKeyZOIACASBBWUBLI-UHFFFAOYSA-N
XLogP1.94
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.94
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

2-(methylamino)-N-(4-methyloxan-4-yl)-3-nitrobenzamide
CID 104773319
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
(3,3-dimethylpiperidin-1-yl)-(2-hydrazinyl-3-nitrophenyl)methanone
CID 115937192
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
5-chloro-N-(1-methylcyclohexyl)-2-nitrobenzamide
CID 61216845
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937217
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide (CID 115937216) is 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide is CC1(NC(=O)c2cccc([N+](=O)[O-])c2NN)CCCC1.
What is the InChIKey of 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide?
The InChIKey is ZOIACASBBWUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-13(7-2-3-8-13)15-12(18)9-5-4-6-10(17(19)20)11(9)16-14/h4-6,16H,2-3,7-8,14H2,1H3,(H,15,18).
What are the key properties of 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide?
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide is sourced from PubChem (CID 115937216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).