N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide

C18H20F2N2O — CID 91342715

IUPACN-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide
SMILESCC(C)(C)c1ccc(CN(N)C(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O/c1-18(2,3)13-9-7-12(8-10-13)11-22(21)17(23)16-14(19)5-4-6-15(16)20/h4-10H,11,21H2,1-3H3
InChIKeyFPRHSVFWGKWJHE-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.78
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide

N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide (PubChem CID 91342715) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide
PubChem CID91342715
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide
SMILESCC(C)(C)c1ccc(CN(N)C(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H20F2N2O/c1-18(2,3)13-9-7-12(8-10-13)11-22(21)17(23)16-14(19)5-4-6-15(16)20/h4-10H,11,21H2,1-3H3
InChIKeyFPRHSVFWGKWJHE-UHFFFAOYSA-N
XLogP3.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide (CID 91342715) is N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide is CC(C)(C)c1ccc(CN(N)C(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide?
The InChIKey is FPRHSVFWGKWJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-18(2,3)13-9-7-12(8-10-13)11-22(21)17(23)16-14(19)5-4-6-15(16)20/h4-10H,11,21H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide?
N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide has a molecular weight of 318.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2,6-difluorobenzohydrazide is sourced from PubChem (CID 91342715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).