2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide

C35H28F3NO2 — CID 57201300

IUPAC2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide
SMILESCOC(C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C35H28F3NO2/c1-41-34(29-21-12-5-13-22-29,30-23-14-24-31(25-30)35(36,37)38)32(40)39-33(26-15-6-2-7-16-26,27-17-8-3-9-18-27)28-19-10-4-11-20-28/h2-25H,1H3,(H,39,40)
InChIKeyQYIVQMNVXVBNQO-UHFFFAOYSA-N
MW551.61 g/mol
LogP7.70
Rot. Bonds8

About 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide

2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide (PubChem CID 57201300) has the molecular formula C35H28F3NO2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide
PubChem CID57201300
Molecular FormulaC35H28F3NO2
Molecular Weight551.61 g/mol
Exact Mass551.21
IUPAC Name2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide
SMILESCOC(C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C35H28F3NO2/c1-41-34(29-21-12-5-13-22-29,30-23-14-24-31(25-30)35(36,37)38)32(40)39-33(26-15-6-2-7-16-26,27-17-8-3-9-18-27)28-19-10-4-11-20-28/h2-25H,1H3,(H,39,40)
InChIKeyQYIVQMNVXVBNQO-UHFFFAOYSA-N
XLogP7.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide?
The IUPAC name of 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide (CID 57201300) is 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide?
The canonical SMILES for 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide is COC(C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide?
The InChIKey is QYIVQMNVXVBNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28F3NO2/c1-41-34(29-21-12-5-13-22-29,30-23-14-24-31(25-30)35(36,37)38)32(40)39-33(26-15-6-2-7-16-26,27-17-8-3-9-18-27)28-19-10-4-11-20-28/h2-25H,1H3,(H,39,40).
What are the key properties of 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide?
2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide has a molecular weight of 551.61 g/mol, XLogP of 7.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-2-[3-(trifluoromethyl)phenyl]-N-tritylacetamide is sourced from PubChem (CID 57201300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).