2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C20H21F3N2O3 — CID 7581490

IUPAC2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C20H21F3N2O3/c1-27-17-6-2-3-7-18(17)28-13-19(26)24-15-12-14(20(21,22)23)8-9-16(15)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,26)
InChIKeyOECLQNPBCXSEPE-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.33
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 7581490) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID7581490
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C20H21F3N2O3/c1-27-17-6-2-3-7-18(17)28-13-19(26)24-15-12-14(20(21,22)23)8-9-16(15)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,26)
InChIKeyOECLQNPBCXSEPE-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinolin-8-yloxyacetamide
CID 2461519
2-(4-propan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5189978
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-(4-formylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78812801
N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39095289
2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 22777363
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 55695449
[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-oxopentanoate
CID 9199101
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 7581490) is 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is COc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OECLQNPBCXSEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-27-17-6-2-3-7-18(17)28-13-19(26)24-15-12-14(20(21,22)23)8-9-16(15)25-10-4-5-11-25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7581490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).