N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide

C13H12F4N2O3 — CID 111567096

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H12F4N2O3/c14-7-1-2-10(9(5-7)13(15,16)17)18-11(21)12(22)19-4-3-8(20)6-19/h1-2,5,8,20H,3-4,6H2,(H,18,21)/t8-/m1/s1
InChIKeyLNWZZIMPAAFAOK-MRVPVSSYSA-N
MW320.24 g/mol
LogP1.38
Rot. Bonds1

About N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 111567096) has the molecular formula C13H12F4N2O3 and a molecular weight of 320.24 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
PubChem CID111567096
Molecular FormulaC13H12F4N2O3
Molecular Weight320.24 g/mol
Exact Mass320.08
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H12F4N2O3/c14-7-1-2-10(9(5-7)13(15,16)17)18-11(21)12(22)19-4-3-8(20)6-19/h1-2,5,8,20H,3-4,6H2,(H,18,21)/t8-/m1/s1
InChIKeyLNWZZIMPAAFAOK-MRVPVSSYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide (CID 111567096) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(F)cc1C(F)(F)F)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is LNWZZIMPAAFAOK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12F4N2O3/c14-7-1-2-10(9(5-7)13(15,16)17)18-11(21)12(22)19-4-3-8(20)6-19/h1-2,5,8,20H,3-4,6H2,(H,18,21)/t8-/m1/s1.
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 320.24 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 111567096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).