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

C14H20N4O3 — CID 115937120

IUPACN-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
SMILESNNc1c(C(=O)NCC2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c15-17-13-11(7-4-8-12(13)18(20)21)14(19)16-9-10-5-2-1-3-6-10/h4,7-8,10,17H,1-3,5-6,9,15H2,(H,16,19)
InChIKeyHMMNAGOUFNPHMN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.19
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide (PubChem CID 115937120) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
PubChem CID115937120
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
SMILESNNc1c(C(=O)NCC2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O3/c15-17-13-11(7-4-8-12(13)18(20)21)14(19)16-9-10-5-2-1-3-6-10/h4,7-8,10,17H,1-3,5-6,9,15H2,(H,16,19)
InChIKeyHMMNAGOUFNPHMN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-(cyclopentylmethyl)-4-fluoro-5-hydrazinyl-2-nitrobenzamide
CID 62243387
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
2-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 115937146

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide?
The IUPAC name of N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide (CID 115937120) is N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide is NNc1c(C(=O)NCC2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide?
The InChIKey is HMMNAGOUFNPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-17-13-11(7-4-8-12(13)18(20)21)14(19)16-9-10-5-2-1-3-6-10/h4,7-8,10,17H,1-3,5-6,9,15H2,(H,16,19).
What are the key properties of N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide?
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide is sourced from PubChem (CID 115937120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).