N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide

C18H18F4N2O4 — CID 2122369

IUPACN'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)NNc2c(F)c(F)cc(F)c2F)cc(OC)c1OC
InChIInChI=1S/C18H18F4N2O4/c1-26-12-6-9(7-13(27-2)18(12)28-3)4-5-14(25)23-24-17-15(21)10(19)8-11(20)16(17)22/h6-8,24H,4-5H2,1-3H3,(H,23,25)
InChIKeyPVJDTDRGJPHDLU-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.34
Rot. Bonds8

About N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide

N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide (PubChem CID 2122369) has the molecular formula C18H18F4N2O4 and a molecular weight of 402.34 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide
PubChem CID2122369
Molecular FormulaC18H18F4N2O4
Molecular Weight402.34 g/mol
Exact Mass402.12
IUPAC NameN'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide
SMILESCOc1cc(CCC(=O)NNc2c(F)c(F)cc(F)c2F)cc(OC)c1OC
InChIInChI=1S/C18H18F4N2O4/c1-26-12-6-9(7-13(27-2)18(12)28-3)4-5-14(25)23-24-17-15(21)10(19)8-11(20)16(17)22/h6-8,24H,4-5H2,1-3H3,(H,23,25)
InChIKeyPVJDTDRGJPHDLU-UHFFFAOYSA-N
XLogP3.34
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide (CID 2122369) is N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide.
What is the SMILES notation for N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The canonical SMILES for N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide is COc1cc(CCC(=O)NNc2c(F)c(F)cc(F)c2F)cc(OC)c1OC.
What is the InChIKey of N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
The InChIKey is PVJDTDRGJPHDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4/c1-26-12-6-9(7-13(27-2)18(12)28-3)4-5-14(25)23-24-17-15(21)10(19)8-11(20)16(17)22/h6-8,24H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide?
N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide has a molecular weight of 402.34 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanehydrazide is sourced from PubChem (CID 2122369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).