2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C22H23F3N2O4 — CID 46628924

IUPAC2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23F3N2O4/c1-2-12-30-19-10-5-15(22(23,24)25)13-18(19)26-20(28)14-31-17-8-6-16(7-9-17)27-11-3-4-21(27)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,28)
InChIKeyYJHMLHWITUTCCN-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.64
Rot. Bonds8

About 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 46628924) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID46628924
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H23F3N2O4/c1-2-12-30-19-10-5-15(22(23,24)25)13-18(19)26-20(28)14-31-17-8-6-16(7-9-17)27-11-3-4-21(27)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,28)
InChIKeyYJHMLHWITUTCCN-UHFFFAOYSA-N
XLogP4.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16549569
3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27446063
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55503557
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7865146
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
N-[2-(ethylaminomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119439937

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 46628924) is 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YJHMLHWITUTCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-2-12-30-19-10-5-15(22(23,24)25)13-18(19)26-20(28)14-31-17-8-6-16(7-9-17)27-11-3-4-21(27)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,26,28).
What are the key properties of 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.43 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46628924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).