N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide

C18H19FN2O2 — CID 14626557

IUPACN'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-18(2,3)21(17(23)14-11-7-8-12-15(14)19)20-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,22)
InChIKeyKPBKAGVIPGPRAK-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.41
Rot. Bonds2

About N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide

N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide (PubChem CID 14626557) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide
PubChem CID14626557
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C18H19FN2O2/c1-18(2,3)21(17(23)14-11-7-8-12-15(14)19)20-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,22)
InChIKeyKPBKAGVIPGPRAK-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tebufenozide
CID 91773
Halofenozide
CID 114994
1,2-Dibenzoyl-1-(tert-butyl)hydrazine
CID 86307
Benzoic acid, 2-benzoylhydrazide
CID 13085
FK-960
CID 181428
N'-(4-acetylbenzoyl)-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 101920483
HDAC3 Inhibitor
CID 137700029
Benzoic acid, 2-iodo-, 2-benzoyl-1-(1,1-dimethylethyl)hydrazide
CID 183422
N'-benzoyl-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 183463
N',N'-dibutylbenzohydrazide
CID 1721008
N'-benzoyl-N-tert-butyl-2-chlorobenzohydrazide
CID 14626542
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide (CID 14626557) is N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1F.
What is the InChIKey of N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide?
The InChIKey is KPBKAGVIPGPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-18(2,3)21(17(23)14-11-7-8-12-15(14)19)20-16(22)13-9-5-4-6-10-13/h4-12H,1-3H3,(H,20,22).
What are the key properties of N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide?
N'-benzoyl-N-tert-butyl-2-fluorobenzohydrazide has a molecular weight of 314.36 g/mol, XLogP of 3.41, 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-fluorobenzohydrazide is sourced from PubChem (CID 14626557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).