N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C18H18F3NO2 — CID 112778632

IUPACN-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccccc1C(C)NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c1-12-6-3-4-9-16(12)13(2)22-17(23)11-24-15-8-5-7-14(10-15)18(19,20)21/h3-10,13H,11H2,1-2H3,(H,22,23)
InChIKeySPUYMYSHSLYEFR-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.27
Rot. Bonds5

About N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 112778632) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID112778632
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccccc1C(C)NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c1-12-6-3-4-9-16(12)13(2)22-17(23)11-24-15-8-5-7-14(10-15)18(19,20)21/h3-10,13H,11H2,1-2H3,(H,22,23)
InChIKeySPUYMYSHSLYEFR-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758350
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoic acid
CID 119361630
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
methyl 3-methyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]pentanoate
CID 112791627
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55588029
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8759816
2-phenoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402629
N-[(1S)-1-(2-methylphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940560

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 112778632) is N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1ccccc1C(C)NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is SPUYMYSHSLYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12-6-3-4-9-16(12)13(2)22-17(23)11-24-15-8-5-7-14(10-15)18(19,20)21/h3-10,13H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 337.34 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 112778632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).