4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide

C16H25FN2O2 — CID 107458142

IUPAC4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide
SMILESCCCCCCC(C)OCc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C16H25FN2O2/c1-3-4-5-6-7-12(2)21-11-14-10-13(16(20)19-18)8-9-15(14)17/h8-10,12H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyNMANJLZZBHOSIS-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.30
Rot. Bonds9

About 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide

4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide (PubChem CID 107458142) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide
PubChem CID107458142
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide
SMILESCCCCCCC(C)OCc1cc(C(=O)NN)ccc1F
InChIInChI=1S/C16H25FN2O2/c1-3-4-5-6-7-12(2)21-11-14-10-13(16(20)19-18)8-9-15(14)17/h8-10,12H,3-7,11,18H2,1-2H3,(H,19,20)
InChIKeyNMANJLZZBHOSIS-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
3-fluoro-4-(octan-2-yloxymethyl)benzoic acid
CID 63531152
3-[[butyl(ethyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458388
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
2-bromo-4-fluoro-1-(octan-2-yloxymethyl)benzene
CID 63457034
2-fluoro-5-(octan-2-yloxymethyl)benzonitrile
CID 107882167
4-fluoro-3-(3,3,3-trifluoropropoxymethyl)benzohydrazide
CID 107458270
heptan-2-yl 4-fluoro-3-methylbenzoate
CID 122423278
2-(octan-2-yloxymethyl)aniline
CID 43127032
3-[(2,3-difluorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458205

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide?
The IUPAC name of 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide (CID 107458142) is 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide?
The canonical SMILES for 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide is CCCCCCC(C)OCc1cc(C(=O)NN)ccc1F.
What is the InChIKey of 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide?
The InChIKey is NMANJLZZBHOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-3-4-5-6-7-12(2)21-11-14-10-13(16(20)19-18)8-9-15(14)17/h8-10,12H,3-7,11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide?
4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide has a molecular weight of 296.39 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(octan-2-yloxymethyl)benzohydrazide is sourced from PubChem (CID 107458142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).