[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

C20H21F3N2O2 — CID 55596656

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C20H21F3N2O2/c1-3-27-15-8-6-14(7-9-15)17-5-4-12-25(17)19(26)16-10-11-18(20(21,22)23)24-13(16)2/h6-11,17H,3-5,12H2,1-2H3
InChIKeyUNNHIXMBZMFSPH-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.78
Rot. Bonds4

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 55596656) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID55596656
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C20H21F3N2O2/c1-3-27-15-8-6-14(7-9-15)17-5-4-12-25(17)19(26)16-10-11-18(20(21,22)23)24-13(16)2/h6-11,17H,3-5,12H2,1-2H3
InChIKeyUNNHIXMBZMFSPH-UHFFFAOYSA-N
XLogP4.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 55596656) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is CCOc1ccc(C2CCCN2C(=O)c2ccc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is UNNHIXMBZMFSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-3-27-15-8-6-14(7-9-15)17-5-4-12-25(17)19(26)16-10-11-18(20(21,22)23)24-13(16)2/h6-11,17H,3-5,12H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 378.39 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 55596656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).