N'-butyl-4-fluorobenzohydrazide

C11H15FN2O — CID 70438237

IUPACN'-butyl-4-fluorobenzohydrazide
SMILESCCCCNNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
InChIKeyYRLLWXIGAGZKFP-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.86
Rot. Bonds5

About N'-butyl-4-fluorobenzohydrazide

N'-butyl-4-fluorobenzohydrazide (PubChem CID 70438237) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N'-butyl-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-butyl-4-fluorobenzohydrazide
PubChem CID70438237
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN'-butyl-4-fluorobenzohydrazide
SMILESCCCCNNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)
InChIKeyYRLLWXIGAGZKFP-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoylhydrazine
CID 11955
Benmoxin
CID 71671
Isophthalyl dihydrazide
CID 72700
2-(Aminothioxomethyl)benzohydrazide
CID 781748
Benzoic acid, 2-benzoylhydrazide
CID 13085
UF010
CID 4596836
p-Toluohydrazide
CID 77174
m-Toluohydrazide
CID 83082
FK-960
CID 181428
o-Toluohydrazide
CID 82110
Benzoic acid, 4-(1,1-dimethylethyl)-, hydrazide
CID 123513
N'-butyl-4-chlorobenzohydrazide
CID 54316037

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-fluorobenzohydrazide?
The IUPAC name of N'-butyl-4-fluorobenzohydrazide (CID 70438237) is N'-butyl-4-fluorobenzohydrazide.
What is the SMILES notation for N'-butyl-4-fluorobenzohydrazide?
The canonical SMILES for N'-butyl-4-fluorobenzohydrazide is CCCCNNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-butyl-4-fluorobenzohydrazide?
The InChIKey is YRLLWXIGAGZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15).
What are the key properties of N'-butyl-4-fluorobenzohydrazide?
N'-butyl-4-fluorobenzohydrazide has a molecular weight of 210.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-fluorobenzohydrazide is sourced from PubChem (CID 70438237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).