2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide

C14H20N4O3 — CID 107420673

IUPAC2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
SMILESCC1CCCC1CNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C14H20N4O3/c1-9-4-2-5-10(9)8-16-14(19)11-6-3-7-12(18(20)21)13(11)17-15/h3,6-7,9-10,17H,2,4-5,8,15H2,1H3,(H,16,19)
InChIKeyHYZWTWWVXXKRBK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.05
Rot. Bonds5

About 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide

2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide (PubChem CID 107420673) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
PubChem CID107420673
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
SMILESCC1CCCC1CNC(=O)c1cccc([N+](=O)[O-])c1NN
InChIInChI=1S/C14H20N4O3/c1-9-4-2-5-10(9)8-16-14(19)11-6-3-7-12(18(20)21)13(11)17-15/h3,6-7,9-10,17H,2,4-5,8,15H2,1H3,(H,16,19)
InChIKeyHYZWTWWVXXKRBK-UHFFFAOYSA-N
XLogP2.05
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.05
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-hydroxy-N-[(2-methylcyclohexyl)methyl]-3-nitrobenzamide
CID 102741652
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
N-[(2-chlorocyclopentyl)methyl]-2-methyl-3-nitrobenzamide
CID 114303186
N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937217
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
2-chloro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzamide
CID 107417795
N-[(2-bromocyclohexyl)methyl]-2-nitrobenzamide
CID 114312172
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-(methylamino)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107419522

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide?
The IUPAC name of 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide (CID 107420673) is 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide?
The canonical SMILES for 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide is CC1CCCC1CNC(=O)c1cccc([N+](=O)[O-])c1NN.
What is the InChIKey of 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide?
The InChIKey is HYZWTWWVXXKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-4-2-5-10(9)8-16-14(19)11-6-3-7-12(18(20)21)13(11)17-15/h3,6-7,9-10,17H,2,4-5,8,15H2,1H3,(H,16,19).
What are the key properties of 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide?
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 107420673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).