N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide

C12H16N4O3 — CID 62238321

IUPACN-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1
InChIInChI=1S/C12H16N4O3/c13-15-11-6-5-9(16(18)19)7-10(11)12(17)14-8-3-1-2-4-8/h5-8,15H,1-4,13H2,(H,14,17)
InChIKeyWLCIBXWWCVBKFG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.55
Rot. Bonds4

About N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide

N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide (PubChem CID 62238321) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
PubChem CID62238321
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1
InChIInChI=1S/C12H16N4O3/c13-15-11-6-5-9(16(18)19)7-10(11)12(17)14-8-3-1-2-4-8/h5-8,15H,1-4,13H2,(H,14,17)
InChIKeyWLCIBXWWCVBKFG-UHFFFAOYSA-N
XLogP1.55
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.55
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-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
N-cyclobutyl-2-(ethylamino)-5-nitrobenzamide
CID 62414267
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
N-(4-hydroxycyclohexyl)-2-(methylamino)-5-nitrobenzamide
CID 60656170
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
2-hydrazinyl-5-nitro-N-piperidin-1-ylbenzamide
CID 83024874
2-(cyclohexylamino)-5-nitro-N-(4-nitrophenyl)benzamide
CID 3695480
N-cyclohexyl-2-[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)ethylamino]-5-nitrobenzamide
CID 2968761
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide?
The IUPAC name of N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide (CID 62238321) is N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide is NNc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide?
The InChIKey is WLCIBXWWCVBKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-15-11-6-5-9(16(18)19)7-10(11)12(17)14-8-3-1-2-4-8/h5-8,15H,1-4,13H2,(H,14,17).
What are the key properties of N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide?
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide has a molecular weight of 264.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide is sourced from PubChem (CID 62238321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).