N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

C24H22F3NO2 — CID 10409485

IUPACN-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C24H22F3NO2/c1-17(29)28(16-23(30)20-7-3-2-4-8-20)15-18-11-13-19(14-12-18)21-9-5-6-10-22(21)24(25,26)27/h2-14,23,30H,15-16H2,1H3
InChIKeySPFVLMOULJHVBS-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.45
Rot. Bonds6

About N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 10409485) has the molecular formula C24H22F3NO2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID10409485
Molecular FormulaC24H22F3NO2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILESCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1
InChIInChI=1S/C24H22F3NO2/c1-17(29)28(16-23(30)20-7-3-2-4-8-20)15-18-11-13-19(14-12-18)21-9-5-6-10-22(21)24(25,26)27/h2-14,23,30H,15-16H2,1H3
InChIKeySPFVLMOULJHVBS-UHFFFAOYSA-N
XLogP5.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 10409485) is N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is CC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)cc1)CC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is SPFVLMOULJHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO2/c1-17(29)28(16-23(30)20-7-3-2-4-8-20)15-18-11-13-19(14-12-18)21-9-5-6-10-22(21)24(25,26)27/h2-14,23,30H,15-16H2,1H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 413.44 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 10409485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).