2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C23H27F3N2O2 — CID 22777363

IUPAC2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-3-16(2)17-6-9-19(10-7-17)30-15-22(29)27-20-14-18(23(24,25)26)8-11-21(20)28-12-4-5-13-28/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,27,29)
InChIKeyCUEUJGKJWSYXAB-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.84
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 22777363) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID22777363
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-3-16(2)17-6-9-19(10-7-17)30-15-22(29)27-20-14-18(23(24,25)26)8-11-21(20)28-12-4-5-13-28/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,27,29)
InChIKeyCUEUJGKJWSYXAB-UHFFFAOYSA-N
XLogP5.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
2-(4-formylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78812801
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3625049
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 22777363) is 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is CCC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CUEUJGKJWSYXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-3-16(2)17-6-9-19(10-7-17)30-15-22(29)27-20-14-18(23(24,25)26)8-11-21(20)28-12-4-5-13-28/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 22777363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).