2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C20H21F3N2O2 — CID 56509917

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

About 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 56509917) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID56509917
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-17-11-5-4-10-16(17)14-24-19(26)18(25-12-6-7-13-25)15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H,24,26)
InChIKeyMHHSWHOKWLWJQK-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

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Related Compounds

(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone
CID 55471032
1-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 146134402
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83006472
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate
CID 95306625
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41188300
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 56509917) is 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(NCc1ccccc1OC(F)(F)F)C(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is MHHSWHOKWLWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)27-17-11-5-4-10-16(17)14-24-19(26)18(25-12-6-7-13-25)15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H,24,26).
What are the key properties of 2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide 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-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 56509917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).