N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide

C18H17N3O2 — CID 14280571

IUPACN'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide
SMILESCC(C)(C#N)N(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-18(2,13-19)21(17(23)15-11-7-4-8-12-15)20-16(22)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,20,22)
InChIKeyZLBMNUYMGDYZGS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.78
Rot. Bonds3

About N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide

N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide (PubChem CID 14280571) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide
PubChem CID14280571
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide
SMILESCC(C)(C#N)N(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-18(2,13-19)21(17(23)15-11-7-4-8-12-15)20-16(22)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,20,22)
InChIKeyZLBMNUYMGDYZGS-UHFFFAOYSA-N
XLogP2.78
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide?
The IUPAC name of N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide (CID 14280571) is N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide.
What is the SMILES notation for N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide?
The canonical SMILES for N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide is CC(C)(C#N)N(NC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide?
The InChIKey is ZLBMNUYMGDYZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(2,13-19)21(17(23)15-11-7-4-8-12-15)20-16(22)14-9-5-3-6-10-14/h3-12H,1-2H3,(H,20,22).
What are the key properties of N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide?
N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide has a molecular weight of 307.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N'-(2-cyanopropan-2-yl)benzohydrazide is sourced from PubChem (CID 14280571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).