N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide

C18H15F5N2O2 — CID 23276915

IUPACN'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H15F5N2O2/c1-18(2,3)25(24-16(26)9-7-5-4-6-8-9)17(27)10-11(19)13(21)15(23)14(22)12(10)20/h4-8H,1-3H3,(H,24,26)
InChIKeySZANKBFLRHSJDT-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.97
Rot. Bonds2

About N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide

N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide (PubChem CID 23276915) has the molecular formula C18H15F5N2O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
PubChem CID23276915
Molecular FormulaC18H15F5N2O2
Molecular Weight386.32 g/mol
Exact Mass386.11
IUPAC NameN'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C18H15F5N2O2/c1-18(2,3)25(24-16(26)9-7-5-4-6-8-9)17(27)10-11(19)13(21)15(23)14(22)12(10)20/h4-8H,1-3H3,(H,24,26)
InChIKeySZANKBFLRHSJDT-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-anilinobenzoyl)-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23164374
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
CID 88511289
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
CID 134100549
N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
CID 14626553
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
N',4-ditert-butyl-N'-(4-fluorobenzoyl)benzohydrazide;trihydrochloride
CID 70295703
N-tert-butyl-N'-(4-fluorobenzoyl)-4-methylbenzohydrazide
CID 23164438
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide (CID 23276915) is N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
The InChIKey is SZANKBFLRHSJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O2/c1-18(2,3)25(24-16(26)9-7-5-4-6-8-9)17(27)10-11(19)13(21)15(23)14(22)12(10)20/h4-8H,1-3H3,(H,24,26).
What are the key properties of N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide?
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide has a molecular weight of 386.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide is sourced from PubChem (CID 23276915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).