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

C14H20N4O3 — CID 115937217

IUPACN-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NN)C1C
InChIInChI=1S/C14H20N4O3/c1-8-6-7-11(9(8)2)16-14(19)10-4-3-5-12(18(20)21)13(10)17-15/h3-5,8-9,11,17H,6-7,15H2,1-2H3,(H,16,19)
InChIKeyGETRHBJOGXGIAB-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.04
Rot. Bonds4

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

N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide (PubChem CID 115937217) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
PubChem CID115937217
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
SMILESCC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NN)C1C
InChIInChI=1S/C14H20N4O3/c1-8-6-7-11(9(8)2)16-14(19)10-4-3-5-12(18(20)21)13(10)17-15/h3-5,8-9,11,17H,6-7,15H2,1-2H3,(H,16,19)
InChIKeyGETRHBJOGXGIAB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
CID 115936836
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-amino-N-(2,3-dimethylcyclopentyl)-5-fluoro-3-nitrobenzamide
CID 107123224
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556205
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120556204
2-hydrazinyl-N-(1-methylcyclopentyl)-3-nitrobenzamide
CID 115937216
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2235548
N-cyclopropyl-2-(cyclopropylamino)-3-nitrobenzamide
CID 67433398
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide (CID 115937217) is N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide is CC1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NN)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide?
The InChIKey is GETRHBJOGXGIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8-6-7-11(9(8)2)16-14(19)10-4-3-5-12(18(20)21)13(10)17-15/h3-5,8-9,11,17H,6-7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide?
N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 115937217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).