4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide

C18H16F4N2O3 — CID 3372557

IUPAC4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H16F4N2O3/c19-13-8-14(20)16(22)17(15(13)21)23-24-18(25)10-3-5-11(6-4-10)27-9-12-2-1-7-26-12/h3-6,8,12,23H,1-2,7,9H2,(H,24,25)
InChIKeySLAAKOMWPSKLIB-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.56
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide

4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide (PubChem CID 3372557) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide
PubChem CID3372557
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H16F4N2O3/c19-13-8-14(20)16(22)17(15(13)21)23-24-18(25)10-3-5-11(6-4-10)27-9-12-2-1-7-26-12/h3-6,8,12,23H,1-2,7,9H2,(H,24,25)
InChIKeySLAAKOMWPSKLIB-UHFFFAOYSA-N
XLogP3.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide (CID 3372557) is 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide is O=C(NNc1c(F)c(F)cc(F)c1F)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide?
The InChIKey is SLAAKOMWPSKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c19-13-8-14(20)16(22)17(15(13)21)23-24-18(25)10-3-5-11(6-4-10)27-9-12-2-1-7-26-12/h3-6,8,12,23H,1-2,7,9H2,(H,24,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide?
4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide has a molecular weight of 384.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N'-(2,3,5,6-tetrafluorophenyl)benzohydrazide is sourced from PubChem (CID 3372557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).