N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide

C11H16N4O3 — CID 115549428

IUPACN-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
SMILESCCC(C)NC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-3-7(2)13-11(16)8-5-4-6-9(14-12)10(8)15(17)18/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyJIPUTWUJRKOYTP-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.41
Rot. Bonds5

About N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide

N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide (PubChem CID 115549428) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
PubChem CID115549428
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
SMILESCCC(C)NC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-3-7(2)13-11(16)8-5-4-6-9(14-12)10(8)15(17)18/h4-7,14H,3,12H2,1-2H3,(H,13,16)
InChIKeyJIPUTWUJRKOYTP-UHFFFAOYSA-N
XLogP1.41
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
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-butan-2-yl-2-nitro-3-(propylamino)benzamide
CID 115548231
3-(methylamino)-2-nitro-N-pentan-2-ylbenzamide
CID 115548112
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
N-heptan-2-yl-3-(methylamino)-2-nitrobenzamide
CID 115548892
3-hydrazinyl-2-nitro-N-(1-thiophen-3-ylethyl)benzamide
CID 115549594
N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
CID 82950772
(3-butan-2-ylsulfanyl-2-nitrophenyl)hydrazine
CID 80925330
N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
CID 115548743
3-hydrazinyl-2-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 115549566
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-nitrobenzamide
CID 120507141
3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
CID 115549585
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide?
The IUPAC name of N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide (CID 115549428) is N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide.
What is the SMILES notation for N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide?
The canonical SMILES for N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide is CCC(C)NC(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide?
The InChIKey is JIPUTWUJRKOYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-7(2)13-11(16)8-5-4-6-9(14-12)10(8)15(17)18/h4-7,14H,3,12H2,1-2H3,(H,13,16).
What are the key properties of N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide?
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide has a molecular weight of 252.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide is sourced from PubChem (CID 115549428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).