N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C21H24F3NO2 — CID 100758350

IUPACN-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3NO2/c1-15(13-20(2,3)16-8-5-4-6-9-16)25-19(26)14-27-18-11-7-10-17(12-18)21(22,23)24/h4-12,15H,13-14H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyQXBGYOUWYQJQQU-OAHLLOKOSA-N
MW379.42 g/mol
LogP4.96
Rot. Bonds7

About N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758350) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758350
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC NameN-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H24F3NO2/c1-15(13-20(2,3)16-8-5-4-6-9-16)25-19(26)14-27-18-11-7-10-17(12-18)21(22,23)24/h4-12,15H,13-14H2,1-3H3,(H,25,26)/t15-/m1/s1
InChIKeyQXBGYOUWYQJQQU-OAHLLOKOSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
(E)-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]hex-4-enoic acid
CID 120692686
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627
N-(2-methyl-1-phenylpropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758798
2-phenoxy-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]acetamide
CID 90575880
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758350) is N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is C[C@H](CC(C)(C)c1ccccc1)NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QXBGYOUWYQJQQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-15(13-20(2,3)16-8-5-4-6-9-16)25-19(26)14-27-18-11-7-10-17(12-18)21(22,23)24/h4-12,15H,13-14H2,1-3H3,(H,25,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 379.42 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).