2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

C21H23F3N2O2 — CID 71844706

IUPAC2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1CC(O)CC1c1cc(F)ccc1F
InChIInChI=1S/C21H23F3N2O2/c1-13(14-3-5-15(22)6-4-14)25(2)21(28)12-26-11-17(27)10-20(26)18-9-16(23)7-8-19(18)24/h3-9,13,17,20,27H,10-12H2,1-2H3
InChIKeyPFAXNQWSIPZJKD-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.43
Rot. Bonds5

About 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide

2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 71844706) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID71844706
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CN1CC(O)CC1c1cc(F)ccc1F
InChIInChI=1S/C21H23F3N2O2/c1-13(14-3-5-15(22)6-4-14)25(2)21(28)12-26-11-17(27)10-20(26)18-9-16(23)7-8-19(18)24/h3-9,13,17,20,27H,10-12H2,1-2H3
InChIKeyPFAXNQWSIPZJKD-UHFFFAOYSA-N
XLogP3.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 71844706) is 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CN1CC(O)CC1c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is PFAXNQWSIPZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-13(14-3-5-15(22)6-4-14)25(2)21(28)12-26-11-17(27)10-20(26)18-9-16(23)7-8-19(18)24/h3-9,13,17,20,27H,10-12H2,1-2H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 392.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 71844706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).