N'-butyl-3-fluorobenzohydrazide

C11H15FN2O — CID 118418454

IUPACN'-butyl-3-fluorobenzohydrazide
SMILESCCCCNNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-2-3-7-13-14-11(15)9-5-4-6-10(12)8-9/h4-6,8,13H,2-3,7H2,1H3,(H,14,15)
InChIKeyGLYLKMUNLZEVMX-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.86
Rot. Bonds5

About N'-butyl-3-fluorobenzohydrazide

N'-butyl-3-fluorobenzohydrazide (PubChem CID 118418454) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N'-butyl-3-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-butyl-3-fluorobenzohydrazide
PubChem CID118418454
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN'-butyl-3-fluorobenzohydrazide
SMILESCCCCNNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FN2O/c1-2-3-7-13-14-11(15)9-5-4-6-10(12)8-9/h4-6,8,13H,2-3,7H2,1H3,(H,14,15)
InChIKeyGLYLKMUNLZEVMX-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

3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
N'-butyl-3,4-dimethylbenzohydrazide
CID 162213335
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
N'-butyl-4-methylbenzohydrazide
CID 118418346
3-fluoro-N-(1-phenylpentyl)benzamide
CID 2941019
3-fluoro-N'-sulfanylbenzohydrazide
CID 174650395
N'-(2-tert-butylundecanoyl)-3-fluorobenzohydrazide
CID 67922236
2-(3-fluorophenyl)hept-1-en-3-one
CID 58899459
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041

Frequently Asked Questions

What is the IUPAC name of N'-butyl-3-fluorobenzohydrazide?
The IUPAC name of N'-butyl-3-fluorobenzohydrazide (CID 118418454) is N'-butyl-3-fluorobenzohydrazide.
What is the SMILES notation for N'-butyl-3-fluorobenzohydrazide?
The canonical SMILES for N'-butyl-3-fluorobenzohydrazide is CCCCNNC(=O)c1cccc(F)c1.
What is the InChIKey of N'-butyl-3-fluorobenzohydrazide?
The InChIKey is GLYLKMUNLZEVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-3-7-13-14-11(15)9-5-4-6-10(12)8-9/h4-6,8,13H,2-3,7H2,1H3,(H,14,15).
What are the key properties of N'-butyl-3-fluorobenzohydrazide?
N'-butyl-3-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-3-fluorobenzohydrazide is sourced from PubChem (CID 118418454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).