N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide

C18H19N3O4 — CID 14626553

IUPACN'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-18(2,3)20(19-16(22)13-9-5-4-6-10-13)17(23)14-11-7-8-12-15(14)21(24)25/h4-12H,1-3H3,(H,19,22)
InChIKeyLXCJEBDJFVKIAM-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.18
Rot. Bonds3

About N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide

N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide (PubChem CID 14626553) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
PubChem CID14626553
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-18(2,3)20(19-16(22)13-9-5-4-6-10-13)17(23)14-11-7-8-12-15(14)21(24)25/h4-12H,1-3H3,(H,19,22)
InChIKeyLXCJEBDJFVKIAM-UHFFFAOYSA-N
XLogP3.18
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
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-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide
CID 57243367
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CID 70295139
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide
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N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
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N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
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N-butyl-N'-(4-tert-butylbenzoyl)-2-nitrobenzohydrazide
CID 67935756
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
acetic acid;(2-nitrophenyl)-phenylmethanone
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N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide (CID 14626553) is N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide?
The InChIKey is LXCJEBDJFVKIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-18(2,3)20(19-16(22)13-9-5-4-6-10-13)17(23)14-11-7-8-12-15(14)21(24)25/h4-12H,1-3H3,(H,19,22).
What are the key properties of N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide?
N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide has a molecular weight of 341.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide is sourced from PubChem (CID 14626553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).