N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C13H12F3NO3 — CID 25014781

IUPACN-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyHYPQMBQCQQDGGJ-JTQLQIEISA-N
MW287.24 g/mol
LogP1.68
Rot. Bonds3

About N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 25014781) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID25014781
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1
InChIKeyHYPQMBQCQQDGGJ-JTQLQIEISA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]benzenebutanamide
CID 11536248
N-(Tetrahydro-2-oxo-3-furanyl)benzamide
CID 97839
Acetyl-L-phenylalanine ethyl ester
CID 94229
Ethyl 2-[(2-phenylacetyl)amino]acetate
CID 239006
N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11550533
N-(4-bromophenylacetanoyl)-L-homoserine lactone
CID 11637972
Ethyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 15061670
(S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 25014705
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-(4-(trifluoromethylthio)phenyl)acetamide
CID 25014956
(S)-2-(naphthalen-2-yl)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 25014960
N-[(3S)-2-oxooxolan-3-yl]-2-(4-phenylphenyl)acetamide
CID 44449542
Ethyl 2-acetamido-3-phenylpropanoate
CID 600541

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 25014781) is N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HYPQMBQCQQDGGJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12F3NO3/c14-13(15,16)9-3-1-8(2-4-9)7-11(18)17-10-5-6-20-12(10)19/h1-4,10H,5-7H2,(H,17,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 287.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25014781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).