N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide

C16H11F5N2O2 — CID 6013773

IUPACN-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C16H11F5N2O2/c1-8(9-5-3-2-4-6-9)23-25-7-10(24)22-16-14(20)12(18)11(17)13(19)15(16)21/h2-6H,7H2,1H3,(H,22,24)/b23-8+
InChIKeyDENAHPNXSCBFQK-LIMNOBDPSA-N
MW358.27 g/mol
LogP3.76
Rot. Bonds5

About N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide

N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide (PubChem CID 6013773) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide
PubChem CID6013773
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C16H11F5N2O2/c1-8(9-5-3-2-4-6-9)23-25-7-10(24)22-16-14(20)12(18)11(17)13(19)15(16)21/h2-6H,7H2,1H3,(H,22,24)/b23-8+
InChIKeyDENAHPNXSCBFQK-LIMNOBDPSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_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-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide (CID 6013773) is N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide is C/C(=N\OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1ccccc1.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide?
The InChIKey is DENAHPNXSCBFQK-LIMNOBDPSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c1-8(9-5-3-2-4-6-9)23-25-7-10(24)22-16-14(20)12(18)11(17)13(19)15(16)21/h2-6H,7H2,1H3,(H,22,24)/b23-8+.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide?
N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide has a molecular weight of 358.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-2-[(E)-1-phenylethylideneamino]oxyacetamide is sourced from PubChem (CID 6013773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).