2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C26H26F3NO2 — CID 162560428

IUPAC2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(c2ccccc2)C2CC3CC24C(CC14)C3O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H26F3NO2/c27-26(28,29)18-8-6-15(7-9-18)14-30-22(31)13-24(17-4-2-1-3-5-17)20-10-16-12-25(20)19(23(16)32)11-21(24)25/h1-9,16,19-21,23,32H,10-14H2,(H,30,31)
InChIKeyQQRPKDDSSMRNBC-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.69
Rot. Bonds5

About 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 162560428) has the molecular formula C26H26F3NO2 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID162560428
Molecular FormulaC26H26F3NO2
Molecular Weight441.49 g/mol
Exact Mass441.19
IUPAC Name2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CC1(c2ccccc2)C2CC3CC24C(CC14)C3O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H26F3NO2/c27-26(28,29)18-8-6-15(7-9-18)14-30-22(31)13-24(17-4-2-1-3-5-17)20-10-16-12-25(20)19(23(16)32)11-21(24)25/h1-9,16,19-21,23,32H,10-14H2,(H,30,31)
InChIKeyQQRPKDDSSMRNBC-UHFFFAOYSA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 162560428) is 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CC1(c2ccccc2)C2CC3CC24C(CC14)C3O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is QQRPKDDSSMRNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO2/c27-26(28,29)18-8-6-15(7-9-18)14-30-22(31)13-24(17-4-2-1-3-5-17)20-10-16-12-25(20)19(23(16)32)11-21(24)25/h1-9,16,19-21,23,32H,10-14H2,(H,30,31).
What are the key properties of 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-hydroxy-4-phenyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 162560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).