2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C19H18F3NO3 — CID 41188622

IUPAC2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3NO3/c1-12(14-5-3-7-16(9-14)19(20,21)22)23-18(25)11-26-17-8-4-6-15(10-17)13(2)24/h3-10,12H,11H2,1-2H3,(H,23,25)/t12-/m1/s1
InChIKeyXGGVRDRBEPZDOO-GFCCVEGCSA-N
MW365.35 g/mol
LogP4.16
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 41188622) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID41188622
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3NO3/c1-12(14-5-3-7-16(9-14)19(20,21)22)23-18(25)11-26-17-8-4-6-15(10-17)13(2)24/h3-10,12H,11H2,1-2H3,(H,23,25)/t12-/m1/s1
InChIKeyXGGVRDRBEPZDOO-GFCCVEGCSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853969
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220
2-(3-acetylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 51141697
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010093
3-[2-[[(1R)-1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 99797134
2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 41188622) is 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is XGGVRDRBEPZDOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-12(14-5-3-7-16(9-14)19(20,21)22)23-18(25)11-26-17-8-4-6-15(10-17)13(2)24/h3-10,12H,11H2,1-2H3,(H,23,25)/t12-/m1/s1.
What are the key properties of 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 365.35 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 41188622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).