N'-tert-butyl-4-fluorobenzohydrazide

C11H15FN2O — CID 15617766

IUPACN'-tert-butyl-4-fluorobenzohydrazide
SMILESCC(C)(C)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-11(2,3)14-13-10(15)8-4-6-9(12)7-5-8/h4-7,14H,1-3H3,(H,13,15)
InChIKeyYLVLWFYFQWLHOW-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.86
Rot. Bonds2

About N'-tert-butyl-4-fluorobenzohydrazide

N'-tert-butyl-4-fluorobenzohydrazide (PubChem CID 15617766) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N'-tert-butyl-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-fluorobenzohydrazide
PubChem CID15617766
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN'-tert-butyl-4-fluorobenzohydrazide
SMILESCC(C)(C)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FN2O/c1-11(2,3)14-13-10(15)8-4-6-9(12)7-5-8/h4-7,14H,1-3H3,(H,13,15)
InChIKeyYLVLWFYFQWLHOW-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-4-(trifluoromethyl)benzohydrazide
CID 141237629
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 79795980
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
[[4-(4-fluorophenyl)benzoyl]amino]urea
CID 23433295
2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
CID 140553951
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-fluorobenzohydrazide?
The IUPAC name of N'-tert-butyl-4-fluorobenzohydrazide (CID 15617766) is N'-tert-butyl-4-fluorobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-4-fluorobenzohydrazide?
The canonical SMILES for N'-tert-butyl-4-fluorobenzohydrazide is CC(C)(C)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-tert-butyl-4-fluorobenzohydrazide?
The InChIKey is YLVLWFYFQWLHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2,3)14-13-10(15)8-4-6-9(12)7-5-8/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of N'-tert-butyl-4-fluorobenzohydrazide?
N'-tert-butyl-4-fluorobenzohydrazide has a molecular weight of 210.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-fluorobenzohydrazide is sourced from PubChem (CID 15617766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).