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

C14H18N4O3 — CID 115549532

IUPACN-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)NC(C2CC2)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O3/c15-17-11-3-1-2-10(13(11)18(20)21)14(19)16-12(8-4-5-8)9-6-7-9/h1-3,8-9,12,17H,4-7,15H2,(H,16,19)
InChIKeyTZKYQXOJOQJYQL-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.80
Rot. Bonds6

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

N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide (PubChem CID 115549532) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
PubChem CID115549532
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
SMILESNNc1cccc(C(=O)NC(C2CC2)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N4O3/c15-17-11-3-1-2-10(13(11)18(20)21)14(19)16-12(8-4-5-8)9-6-7-9/h1-3,8-9,12,17H,4-7,15H2,(H,16,19)
InChIKeyTZKYQXOJOQJYQL-UHFFFAOYSA-N
XLogP1.80
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.80
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-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
3-hydrazinyl-2-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 115549566
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115549594
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
CID 80906458
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
3-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitrobenzamide
CID 106025899
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide (CID 115549532) is N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide is NNc1cccc(C(=O)NC(C2CC2)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide?
The InChIKey is TZKYQXOJOQJYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-17-11-3-1-2-10(13(11)18(20)21)14(19)16-12(8-4-5-8)9-6-7-9/h1-3,8-9,12,17H,4-7,15H2,(H,16,19).
What are the key properties of N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide?
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide has a molecular weight of 290.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 115549532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).