4-tert-butyl-N'-phenylbenzohydrazide

C17H20N2O — CID 78774850

IUPAC4-tert-butyl-N'-phenylbenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-11-9-13(10-12-14)16(20)19-18-15-7-5-4-6-8-15/h4-12,18H,1-3H3,(H,19,20)
InChIKeyQLCLROGFYQPLPI-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.74
Rot. Bonds3

About 4-tert-butyl-N'-phenylbenzohydrazide

4-tert-butyl-N'-phenylbenzohydrazide (PubChem CID 78774850) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-tert-butyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-phenylbenzohydrazide
PubChem CID78774850
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-tert-butyl-N'-phenylbenzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-17(2,3)14-11-9-13(10-12-14)16(20)19-18-15-7-5-4-6-8-15/h4-12,18H,1-3H3,(H,19,20)
InChIKeyQLCLROGFYQPLPI-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-tert-butyl-N'-phenylbenzohydrazide?
The IUPAC name of 4-tert-butyl-N'-phenylbenzohydrazide (CID 78774850) is 4-tert-butyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-phenylbenzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-phenylbenzohydrazide is CC(C)(C)c1ccc(C(=O)NNc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N'-phenylbenzohydrazide?
The InChIKey is QLCLROGFYQPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)14-11-9-13(10-12-14)16(20)19-18-15-7-5-4-6-8-15/h4-12,18H,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-N'-phenylbenzohydrazide?
4-tert-butyl-N'-phenylbenzohydrazide has a molecular weight of 268.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 78774850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).