2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide

C20H13F5N2O2 — CID 11761352

IUPAC2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide
SMILESO=C(NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H13F5N2O2/c21-16-2-1-3-17(22)18(16)19(28)27-26-14-8-4-12(5-9-14)13-6-10-15(11-7-13)29-20(23,24)25/h1-11,26H,(H,27,28)
InChIKeyHZAIJJLGBNQLQD-UHFFFAOYSA-N
MW408.33 g/mol
LogP5.29
Rot. Bonds5

About 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide

2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide (PubChem CID 11761352) has the molecular formula C20H13F5N2O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide.

Molecular Properties

Compound Name2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide
PubChem CID11761352
Molecular FormulaC20H13F5N2O2
Molecular Weight408.33 g/mol
Exact Mass408.09
IUPAC Name2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide
SMILESO=C(NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)c1c(F)cccc1F
InChIInChI=1S/C20H13F5N2O2/c21-16-2-1-3-17(22)18(16)19(28)27-26-14-8-4-12(5-9-14)13-6-10-15(11-7-13)29-20(23,24)25/h1-11,26H,(H,27,28)
InChIKeyHZAIJJLGBNQLQD-UHFFFAOYSA-N
XLogP5.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide?
The IUPAC name of 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide (CID 11761352) is 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide.
What is the SMILES notation for 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide?
The canonical SMILES for 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide is O=C(NNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide?
The InChIKey is HZAIJJLGBNQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O2/c21-16-2-1-3-17(22)18(16)19(28)27-26-14-8-4-12(5-9-14)13-6-10-15(11-7-13)29-20(23,24)25/h1-11,26H,(H,27,28).
What are the key properties of 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide?
2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide has a molecular weight of 408.33 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N'-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzohydrazide is sourced from PubChem (CID 11761352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).