2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C19H20F3NO2 — CID 26010093

IUPAC2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO2/c1-3-25-17-9-7-14(8-10-17)11-18(24)23-13(2)15-5-4-6-16(12-15)19(20,21)22/h4-10,12-13H,3,11H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyQJABRPIBFKOHJT-ZDUSSCGKSA-N
MW351.37 g/mol
LogP4.52
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 26010093) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID26010093
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCCOc1ccc(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H20F3NO2/c1-3-25-17-9-7-14(8-10-17)11-18(24)23-13(2)15-5-4-6-16(12-15)19(20,21)22/h4-10,12-13H,3,11H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyQJABRPIBFKOHJT-ZDUSSCGKSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26010094
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112763941
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(4-methoxyphenyl)sulfanyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 17475687
1-(4-ethoxyphenyl)-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 18270743
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51951220
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 26010093) is 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CCOc1ccc(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is QJABRPIBFKOHJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-3-25-17-9-7-14(8-10-17)11-18(24)23-13(2)15-5-4-6-16(12-15)19(20,21)22/h4-10,12-13H,3,11H2,1-2H3,(H,23,24)/t13-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 26010093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).