4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide

C17H18F2N2O — CID 2812871

IUPAC4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O/c1-17(2,3)12-6-4-11(5-7-12)16(22)21-20-15-9-8-13(18)10-14(15)19/h4-10,20H,1-3H3,(H,21,22)
InChIKeyIHRGWTRNWBWSBN-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.02
Rot. Bonds3

About 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide

4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide (PubChem CID 2812871) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide
PubChem CID2812871
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2N2O/c1-17(2,3)12-6-4-11(5-7-12)16(22)21-20-15-9-8-13(18)10-14(15)19/h4-10,20H,1-3H3,(H,21,22)
InChIKeyIHRGWTRNWBWSBN-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.02
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'-(2,4-difluorophenyl)benzohydrazide?
The IUPAC name of 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide (CID 2812871) is 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide.
What is the SMILES notation for 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide?
The canonical SMILES for 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide is CC(C)(C)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide?
The InChIKey is IHRGWTRNWBWSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-17(2,3)12-6-4-11(5-7-12)16(22)21-20-15-9-8-13(18)10-14(15)19/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of 4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide?
4-tert-butyl-N'-(2,4-difluorophenyl)benzohydrazide has a molecular weight of 304.34 g/mol, XLogP of 4.02, 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'-(2,4-difluorophenyl)benzohydrazide is sourced from PubChem (CID 2812871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).