N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide

C9H4F5N3O2 — CID 6903266

IUPACN'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H4F5N3O2/c10-3-2(1-16-17-9(19)8(15)18)4(11)6(13)7(14)5(3)12/h1H,(H2,15,18)(H,17,19)/b16-1+
InChIKeyWEYIEHMNJZRKDK-KDFUSNODSA-N
MW281.14 g/mol
LogP0.32
Rot. Bonds2

About N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide

N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide (PubChem CID 6903266) has the molecular formula C9H4F5N3O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
PubChem CID6903266
Molecular FormulaC9H4F5N3O2
Molecular Weight281.14 g/mol
Exact Mass281.02
IUPAC NameN'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H4F5N3O2/c10-3-2(1-16-17-9(19)8(15)18)4(11)6(13)7(14)5(3)12/h1H,(H2,15,18)(H,17,19)/b16-1+
InChIKeyWEYIEHMNJZRKDK-KDFUSNODSA-N
XLogP0.32
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide (CID 6903266) is N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
The InChIKey is WEYIEHMNJZRKDK-KDFUSNODSA-N. The full InChI is InChI=1S/C9H4F5N3O2/c10-3-2(1-16-17-9(19)8(15)18)4(11)6(13)7(14)5(3)12/h1H,(H2,15,18)(H,17,19)/b16-1+.
What are the key properties of N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide?
N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide has a molecular weight of 281.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6903266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).