N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide

C16H8F5N3O2 — CID 2098730

IUPACN-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H8F5N3O2/c17-10-11(18)13(20)15(14(21)12(10)19)23-9(25)6-26-16-8-4-2-1-3-7(8)5-22-24-16/h1-5H,6H2,(H,23,25)
InChIKeyRFXYEVUQXKSRSR-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.34
Rot. Bonds4

About N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide

N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 2098730) has the molecular formula C16H8F5N3O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID2098730
Molecular FormulaC16H8F5N3O2
Molecular Weight369.25 g/mol
Exact Mass369.05
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H8F5N3O2/c17-10-11(18)13(20)15(14(21)12(10)19)23-9(25)6-26-16-8-4-2-1-3-7(8)5-22-24-16/h1-5H,6H2,(H,23,25)
InChIKeyRFXYEVUQXKSRSR-UHFFFAOYSA-N
XLogP3.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide (CID 2098730) is N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide is O=C(COc1nncc2ccccc12)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is RFXYEVUQXKSRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F5N3O2/c17-10-11(18)13(20)15(14(21)12(10)19)23-9(25)6-26-16-8-4-2-1-3-7(8)5-22-24-16/h1-5H,6H2,(H,23,25).
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide?
N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 369.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 2098730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).