N'-tert-butyl-2-nitrobenzohydrazide

C11H15N3O3 — CID 15617770

IUPACN'-tert-butyl-2-nitrobenzohydrazide
SMILESCC(C)(C)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-11(2,3)13-12-10(15)8-6-4-5-7-9(8)14(16)17/h4-7,13H,1-3H3,(H,12,15)
InChIKeyIWOXBHVKFJXHJM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.63
Rot. Bonds3

About N'-tert-butyl-2-nitrobenzohydrazide

N'-tert-butyl-2-nitrobenzohydrazide (PubChem CID 15617770) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-tert-butyl-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-2-nitrobenzohydrazide
PubChem CID15617770
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN'-tert-butyl-2-nitrobenzohydrazide
SMILESCC(C)(C)NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-11(2,3)13-12-10(15)8-6-4-5-7-9(8)14(16)17/h4-7,13H,1-3H3,(H,12,15)
InChIKeyIWOXBHVKFJXHJM-UHFFFAOYSA-N
XLogP1.63
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-3-methyl-2-nitrobenzohydrazide
CID 141375033
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
[(2-nitrobenzoyl)amino]urea
CID 61061190
[(2-nitrobenzoyl)amino]thiourea
CID 65216747
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
N'-(2-bromopropanoyl)-2-nitrobenzohydrazide
CID 3809128
N-(1-hydroxy-2-methylbutan-2-yl)-2-nitrobenzamide
CID 64557384
N-[3-(chloromethyl)pentan-3-yl]-2-nitrobenzamide
CID 114304453
2-hydroxy-2-methyl-1-(2-nitrophenyl)propan-1-one
CID 54210618
2-nitro-N-[[(2-nitrobenzoyl)carbamothioylamino]carbamothioyl]benzamide
CID 11981700
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-nitrobenzamide
CID 107845705
N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 3108599

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-nitrobenzohydrazide?
The IUPAC name of N'-tert-butyl-2-nitrobenzohydrazide (CID 15617770) is N'-tert-butyl-2-nitrobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-2-nitrobenzohydrazide?
The canonical SMILES for N'-tert-butyl-2-nitrobenzohydrazide is CC(C)(C)NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-tert-butyl-2-nitrobenzohydrazide?
The InChIKey is IWOXBHVKFJXHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,3)13-12-10(15)8-6-4-5-7-9(8)14(16)17/h4-7,13H,1-3H3,(H,12,15).
What are the key properties of N'-tert-butyl-2-nitrobenzohydrazide?
N'-tert-butyl-2-nitrobenzohydrazide has a molecular weight of 237.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-nitrobenzohydrazide is sourced from PubChem (CID 15617770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).