N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H21F3N2O2 — CID 16564446

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O2/c1-14-11-16(25-9-2-3-10-25)7-8-18(14)24-19(26)13-27-17-6-4-5-15(12-17)20(21,22)23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,26)
InChIKeyGIMJNPTZUNTSFJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.63
Rot. Bonds5

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 16564446) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID16564446
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O2/c1-14-11-16(25-9-2-3-10-25)7-8-18(14)24-19(26)13-27-17-6-4-5-15(12-17)20(21,22)23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,26)
InChIKeyGIMJNPTZUNTSFJ-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 16564446) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is GIMJNPTZUNTSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14-11-16(25-9-2-3-10-25)7-8-18(14)24-19(26)13-27-17-6-4-5-15(12-17)20(21,22)23/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,24,26).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 378.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 16564446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).