N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide

C19H19N3O2 — CID 7980032

IUPACN'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)16-10-8-15(9-11-16)18(24)22-21-17(23)14-6-4-13(12-20)5-7-14/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyILHXBUUVNQTMQL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.93
Rot. Bonds2

About N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide

N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide (PubChem CID 7980032) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
PubChem CID7980032
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)16-10-8-15(9-11-16)18(24)22-21-17(23)14-6-4-13(12-20)5-7-14/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyILHXBUUVNQTMQL-UHFFFAOYSA-N
XLogP2.93
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-cyanophenyl)methyl 4-tert-butylbenzoate
CID 3961953
(4-cyanophenyl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 7827849
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
4-[4-(4-tert-butylphenyl)phenyl]benzonitrile
CID 68636211
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
4-cyano-N-methylsulfonylbenzamide
CID 47232721
N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
4-(2-methyl-3-oxobutan-2-yl)benzonitrile
CID 53344188
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
2-(4-cyanophenyl)-2-methylpropanoyl chloride
CID 117047662

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide (CID 7980032) is N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide?
The InChIKey is ILHXBUUVNQTMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)16-10-8-15(9-11-16)18(24)22-21-17(23)14-6-4-13(12-20)5-7-14/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide?
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide has a molecular weight of 321.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide is sourced from PubChem (CID 7980032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).