(2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

C17H16F2N2O3 — CID 22419037

IUPAC(2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O3/c1-20-17(22)15(21-23-2)12-7-4-3-6-11(12)10-24-16-13(18)8-5-9-14(16)19/h3-9H,10H2,1-2H3,(H,20,22)/b21-15+
InChIKeyIZGJHROGGAJGRQ-RCCKNPSSSA-N
MW334.32 g/mol
LogP2.64
Rot. Bonds6

About (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 22419037) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID22419037
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name(2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1COc1c(F)cccc1F
InChIInChI=1S/C17H16F2N2O3/c1-20-17(22)15(21-23-2)12-7-4-3-6-11(12)10-24-16-13(18)8-5-9-14(16)19/h3-9H,10H2,1-2H3,(H,20,22)/b21-15+
InChIKeyIZGJHROGGAJGRQ-RCCKNPSSSA-N
XLogP2.64
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 22419037) is (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1COc1c(F)cccc1F.
What is the InChIKey of (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is IZGJHROGGAJGRQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-20-17(22)15(21-23-2)12-7-4-3-6-11(12)10-24-16-13(18)8-5-9-14(16)19/h3-9H,10H2,1-2H3,(H,20,22)/b21-15+.
What are the key properties of (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
(2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 334.32 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[(2,6-difluorophenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 22419037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).