2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide

C19H16F6N2O3 — CID 90946193

IUPAC2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O3/c1-26-17(28)16(27-29-2)15-6-4-3-5-11(15)10-30-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h3-9H,10H2,1-2H3,(H,26,28)
InChIKeyCBUDXKSTBTYOMW-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.40
Rot. Bonds6

About 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide

2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 90946193) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID90946193
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC Name2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O3/c1-26-17(28)16(27-29-2)15-6-4-3-5-11(15)10-30-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h3-9H,10H2,1-2H3,(H,26,28)
InChIKeyCBUDXKSTBTYOMW-UHFFFAOYSA-N
XLogP4.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.40
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 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 90946193) is 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1COc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is CBUDXKSTBTYOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c1-26-17(28)16(27-29-2)15-6-4-3-5-11(15)10-30-14-8-12(18(20,21)22)7-13(9-14)19(23,24)25/h3-9H,10H2,1-2H3,(H,26,28).
What are the key properties of 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 434.34 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 90946193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).