2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone

C20H21F3N2O2 — CID 55471032

IUPAC2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone
SMILESO=C(C(NCc1ccccc1OC(F)(F)F)c1ccccc1)N1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-17-11-5-4-10-16(17)14-24-18(15-8-2-1-3-9-15)19(26)25-12-6-7-13-25/h1-5,8-11,18,24H,6-7,12-14H2
InChIKeyRVGQAEBKNFSVLF-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.04
Rot. Bonds6

About 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone

2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone (PubChem CID 55471032) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone.

Molecular Properties

Compound Name2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone
PubChem CID55471032
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone
SMILESO=C(C(NCc1ccccc1OC(F)(F)F)c1ccccc1)N1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-17-11-5-4-10-16(17)14-24-18(15-8-2-1-3-9-15)19(26)25-12-6-7-13-25/h1-5,8-11,18,24H,6-7,12-14H2
InChIKeyRVGQAEBKNFSVLF-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591500
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83006472
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
CID 51107460

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone?
The IUPAC name of 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone (CID 55471032) is 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone.
What is the SMILES notation for 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone?
The canonical SMILES for 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone is O=C(C(NCc1ccccc1OC(F)(F)F)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone?
The InChIKey is RVGQAEBKNFSVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)27-17-11-5-4-10-16(17)14-24-18(15-8-2-1-3-9-15)19(26)25-12-6-7-13-25/h1-5,8-11,18,24H,6-7,12-14H2.
What are the key properties of 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone?
2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone has a molecular weight of 378.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone is sourced from PubChem (CID 55471032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).