2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide

C18H17F3N2O2 — CID 123362743

IUPAC2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
SMILESCC(ON=Cc1ccccc1CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12(13-7-4-8-16(9-13)18(19,20)21)25-23-11-15-6-3-2-5-14(15)10-17(22)24/h2-9,11-12H,10H2,1H3,(H2,22,24)
InChIKeyXIKOLKHFLOVTCA-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.84
Rot. Bonds6

About 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide

2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide (PubChem CID 123362743) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
PubChem CID123362743
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide
SMILESCC(ON=Cc1ccccc1CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c1-12(13-7-4-8-16(9-13)18(19,20)21)25-23-11-15-6-3-2-5-14(15)10-17(22)24/h2-9,11-12H,10H2,1H3,(H2,22,24)
InChIKeyXIKOLKHFLOVTCA-UHFFFAOYSA-N
XLogP3.84
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
The IUPAC name of 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide (CID 123362743) is 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
The canonical SMILES for 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide is CC(ON=Cc1ccccc1CC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
The InChIKey is XIKOLKHFLOVTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12(13-7-4-8-16(9-13)18(19,20)21)25-23-11-15-6-3-2-5-14(15)10-17(22)24/h2-9,11-12H,10H2,1H3,(H2,22,24).
What are the key properties of 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide?
2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]acetamide is sourced from PubChem (CID 123362743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).