N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C15H18F3NO3 — CID 133268854

IUPACN-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H18F3NO3/c1-2-19(12-8-22-9-13(12)20)14(21)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyAKTWEIXICWFCGI-CHWSQXEVSA-N
MW317.31 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 133268854) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID133268854
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC NameN-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H18F3NO3/c1-2-19(12-8-22-9-13(12)20)14(21)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyAKTWEIXICWFCGI-CHWSQXEVSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-hydroxyoxolan-3-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 156608790
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8781862
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133266900
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 54176693
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 133268854) is N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(C(=O)Cc1cccc(C(F)(F)F)c1)[C@@H]1COC[C@H]1O.
What is the InChIKey of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AKTWEIXICWFCGI-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-2-19(12-8-22-9-13(12)20)14(21)7-10-4-3-5-11(6-10)15(16,17)18/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 133268854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).