N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide

C12H16N4O3 — CID 112580705

IUPACN-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
SMILESNNc1c(C(=O)NCCC2CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-15-11-9(2-1-3-10(11)16(18)19)12(17)14-7-6-8-4-5-8/h1-3,8,15H,4-7,13H2,(H,14,17)
InChIKeyDUENRTJLGNYTEF-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.41
Rot. Bonds6

About N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide

N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide (PubChem CID 112580705) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
PubChem CID112580705
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
SMILESNNc1c(C(=O)NCCC2CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c13-15-11-9(2-1-3-10(11)16(18)19)12(17)14-7-6-8-4-5-8/h1-3,8,15H,4-7,13H2,(H,14,17)
InChIKeyDUENRTJLGNYTEF-UHFFFAOYSA-N
XLogP1.41
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.41
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-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395
N-(2,3-dimethylcyclopentyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937217
N-(2-cyclopropylethyl)-2,3-dihydroxybenzamide
CID 114344475
N-cyclopropyl-2-(cyclopropylamino)-3-nitrobenzamide
CID 67433398
2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 115937049

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide (CID 112580705) is N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide is NNc1c(C(=O)NCCC2CC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide?
The InChIKey is DUENRTJLGNYTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-15-11-9(2-1-3-10(11)16(18)19)12(17)14-7-6-8-4-5-8/h1-3,8,15H,4-7,13H2,(H,14,17).
What are the key properties of N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide?
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide has a molecular weight of 264.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 112580705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).