N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C15H18F3NO2 — CID 35272557

IUPACN-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1
InChIInChI=1S/C15H18F3NO2/c1-10(13-6-3-7-21-13)19-14(20)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyKJQVNMBDOSPILV-MFKMUULPSA-N
MW301.31 g/mol
LogP2.93
Rot. Bonds4

About N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 35272557) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID35272557
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1
InChIInChI=1S/C15H18F3NO2/c1-10(13-6-3-7-21-13)19-14(20)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyKJQVNMBDOSPILV-MFKMUULPSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 42563008
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 62697267
5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 35257790
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 51968428
(2S)-4-oxo-2-[(2S)-oxolan-2-yl]-4-[3-(trifluoromethyl)anilino]butanoate
CID 6940387

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 35272557) is N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is C[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KJQVNMBDOSPILV-MFKMUULPSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-10(13-6-3-7-21-13)19-14(20)9-11-4-2-5-12(8-11)15(16,17)18/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,19,20)/t10-,13+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 301.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 35272557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).