2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide

C18H18F3NO2 — CID 5198567

IUPAC2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide
SMILESCOC(c1ccccc1)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C18H18F3NO2/c1-24-16(15-10-6-3-7-11-15)22(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKeyZJKIVLOARPIFEW-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.97
Rot. Bonds6

About 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide

2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 5198567) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID5198567
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide
SMILESCOC(c1ccccc1)N(CCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C18H18F3NO2/c1-24-16(15-10-6-3-7-11-15)22(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3
InChIKeyZJKIVLOARPIFEW-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide (CID 5198567) is 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide is COC(c1ccccc1)N(CCc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZJKIVLOARPIFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-24-16(15-10-6-3-7-11-15)22(17(23)18(19,20)21)13-12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide?
2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[methoxy(phenyl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5198567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).