N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C22H26F3NO — CID 69341997

IUPACN-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H26F3NO/c1-4-12-21(2,3)18-10-8-16(9-11-18)15-26-20(27)14-17-6-5-7-19(13-17)22(23,24)25/h5-11,13H,4,12,14-15H2,1-3H3,(H,26,27)
InChIKeyTZJRQPJPYCFHLK-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.64
Rot. Bonds7

About N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 69341997) has the molecular formula C22H26F3NO and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID69341997
Molecular FormulaC22H26F3NO
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H26F3NO/c1-4-12-21(2,3)18-10-8-16(9-11-18)15-26-20(27)14-17-6-5-7-19(13-17)22(23,24)25/h5-11,13H,4,12,14-15H2,1-3H3,(H,26,27)
InChIKeyTZJRQPJPYCFHLK-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[[4-(carbamoylamino)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 46512922
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[4-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111268119
N-[[3-chloro-4-(1-methylcyclopropyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69342971
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 50929609

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 69341997) is N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCCC(C)(C)c1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TZJRQPJPYCFHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO/c1-4-12-21(2,3)18-10-8-16(9-11-18)15-26-20(27)14-17-6-5-7-19(13-17)22(23,24)25/h5-11,13H,4,12,14-15H2,1-3H3,(H,26,27).
What are the key properties of N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 69341997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).