N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide

C14H20N4O3 — CID 79870740

IUPACN-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-14(2)7-3-4-12(14)16-13(19)9-5-6-10(17-15)11(8-9)18(20)21/h5-6,8,12,17H,3-4,7,15H2,1-2H3,(H,16,19)
InChIKeyZGWFJXFIRVKMNN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.19
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide

N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide (PubChem CID 79870740) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide
PubChem CID79870740
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-14(2)7-3-4-12(14)16-13(19)9-5-6-10(17-15)11(8-9)18(20)21/h5-6,8,12,17H,3-4,7,15H2,1-2H3,(H,16,19)
InChIKeyZGWFJXFIRVKMNN-UHFFFAOYSA-N
XLogP2.19
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
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-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
3-chloro-N-(2,2-dimethylcyclohexyl)-4-nitrobenzamide
CID 82778025
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
CID 79873334
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
N-(1,1-dioxothiolan-3-yl)-4-hydrazinyl-3-nitrobenzamide
CID 62235008
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
N-(2,2-dimethylcyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 107122177
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide (CID 79870740) is N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide is CC1(C)CCCC1NC(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide?
The InChIKey is ZGWFJXFIRVKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2)7-3-4-12(14)16-13(19)9-5-6-10(17-15)11(8-9)18(20)21/h5-6,8,12,17H,3-4,7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide?
N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 79870740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).