2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide

C20H20F2N4O4 — CID 57229463

IUPAC2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide
SMILESCON=C(C(N)=O)c1ccccc1C(C)ON=C=C(NOC)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N4O4/c1-12(14-6-4-5-7-15(14)19(20(23)27)26-29-3)30-24-11-18(25-28-2)16-9-8-13(21)10-17(16)22/h4-10,12,25H,1-3H3,(H2,23,27)
InChIKeyKYUQHEXNPGYNNU-UHFFFAOYSA-N
MW418.40 g/mol
LogP2.65
Rot. Bonds9

About 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide

2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide (PubChem CID 57229463) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide
PubChem CID57229463
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC Name2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide
SMILESCON=C(C(N)=O)c1ccccc1C(C)ON=C=C(NOC)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N4O4/c1-12(14-6-4-5-7-15(14)19(20(23)27)26-29-3)30-24-11-18(25-28-2)16-9-8-13(21)10-17(16)22/h4-10,12,25H,1-3H3,(H2,23,27)
InChIKeyKYUQHEXNPGYNNU-UHFFFAOYSA-N
XLogP2.65
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide?
The IUPAC name of 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide (CID 57229463) is 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide.
What is the SMILES notation for 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide?
The canonical SMILES for 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide is CON=C(C(N)=O)c1ccccc1C(C)ON=C=C(NOC)c1ccc(F)cc1F.
What is the InChIKey of 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide?
The InChIKey is KYUQHEXNPGYNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-12(14-6-4-5-7-15(14)19(20(23)27)26-29-3)30-24-11-18(25-28-2)16-9-8-13(21)10-17(16)22/h4-10,12,25H,1-3H3,(H2,23,27).
What are the key properties of 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide?
2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide has a molecular weight of 418.40 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[[2-(2,4-difluorophenyl)-2-(methoxyamino)ethenylidene]amino]oxyethyl]phenyl]-2-methoxyiminoacetamide is sourced from PubChem (CID 57229463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).