2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide

C33H32F4N2O2 — CID 11813747

IUPAC2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide
SMILESNC(=O)Cc1cccc(OCCCN(Cc2ccc(F)c(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H32F4N2O2/c34-31-16-15-25(20-30(31)33(35,36)37)22-39(17-8-18-41-28-14-7-9-24(19-28)21-32(38)40)23-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-7,9-16,19-20,29H,8,17-18,21-23H2,(H2,38,40)
InChIKeyXMGCJZBZVMGBQN-UHFFFAOYSA-N
MW564.62 g/mol
LogP6.98
Rot. Bonds13

About 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide

2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide (PubChem CID 11813747) has the molecular formula C33H32F4N2O2 and a molecular weight of 564.62 g/mol. Its IUPAC name is 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide
PubChem CID11813747
Molecular FormulaC33H32F4N2O2
Molecular Weight564.62 g/mol
Exact Mass564.24
IUPAC Name2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide
SMILESNC(=O)Cc1cccc(OCCCN(Cc2ccc(F)c(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C33H32F4N2O2/c34-31-16-15-25(20-30(31)33(35,36)37)22-39(17-8-18-41-28-14-7-9-24(19-28)21-32(38)40)23-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-7,9-16,19-20,29H,8,17-18,21-23H2,(H2,38,40)
InChIKeyXMGCJZBZVMGBQN-UHFFFAOYSA-N
XLogP6.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
The IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide (CID 11813747) is 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide is NC(=O)Cc1cccc(OCCCN(Cc2ccc(F)c(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
The InChIKey is XMGCJZBZVMGBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F4N2O2/c34-31-16-15-25(20-30(31)33(35,36)37)22-39(17-8-18-41-28-14-7-9-24(19-28)21-32(38)40)23-29(26-10-3-1-4-11-26)27-12-5-2-6-13-27/h1-7,9-16,19-20,29H,8,17-18,21-23H2,(H2,38,40).
What are the key properties of 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide?
2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide has a molecular weight of 564.62 g/mol, XLogP of 6.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,2-diphenylethyl-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 11813747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).