N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide

C12H15N3O4 — CID 4927498

IUPACN'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O4/c1-12(2,3)11(17)14-13-10(16)8-4-6-9(7-5-8)15(18)19/h4-7H,1-3H3,(H,13,16)(H,14,17)
InChIKeyHGTQMRLEJCLDLJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.40
Rot. Bonds2

About N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide

N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide (PubChem CID 4927498) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
PubChem CID4927498
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O4/c1-12(2,3)11(17)14-13-10(16)8-4-6-9(7-5-8)15(18)19/h4-7H,1-3H3,(H,13,16)(H,14,17)
InChIKeyHGTQMRLEJCLDLJ-UHFFFAOYSA-N
XLogP1.40
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.40
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

4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N-[(4-nitrobenzoyl)amino]carbamodithioate
CID 135778383
4-nitro-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 8869434
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
CID 4275309
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
tert-butyl N-[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl]carbamate
CID 118158794
4-nitro-N-trimethylsilylbenzamide
CID 12726300

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide?
The IUPAC name of N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide (CID 4927498) is N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide.
What is the SMILES notation for N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide?
The canonical SMILES for N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide is CC(C)(C)C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide?
The InChIKey is HGTQMRLEJCLDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(2,3)11(17)14-13-10(16)8-4-6-9(7-5-8)15(18)19/h4-7H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide?
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide has a molecular weight of 265.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 4927498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).