2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C22H21F5N2O2 — CID 166541754

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F5N2O2/c23-18-6-2-4-15(21(18)24)13-29-17(7-8-20(29)31)12-19(30)28-10-9-14-3-1-5-16(11-14)22(25,26)27/h1-6,11,17H,7-10,12-13H2,(H,28,30)
InChIKeyVZVPZEOBLYAXLF-UHFFFAOYSA-N
MW440.41 g/mol
LogP4.22
Rot. Bonds7

About 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 166541754) has the molecular formula C22H21F5N2O2 and a molecular weight of 440.41 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID166541754
Molecular FormulaC22H21F5N2O2
Molecular Weight440.41 g/mol
Exact Mass440.15
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F5N2O2/c23-18-6-2-4-15(21(18)24)13-29-17(7-8-20(29)31)12-19(30)28-10-9-14-3-1-5-16(11-14)22(25,26)27/h1-6,11,17H,7-10,12-13H2,(H,28,30)
InChIKeyVZVPZEOBLYAXLF-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 166541754) is 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is VZVPZEOBLYAXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N2O2/c23-18-6-2-4-15(21(18)24)13-29-17(7-8-20(29)31)12-19(30)28-10-9-14-3-1-5-16(11-14)22(25,26)27/h1-6,11,17H,7-10,12-13H2,(H,28,30).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 440.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 166541754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).