1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide

C20H21F3N2O2 — CID 60579858

IUPAC1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)14-27-17-9-4-8-16(12-17)24-19(26)18-10-5-11-25(18)13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,24,26)
InChIKeyJPLHJKRQBJRTBE-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.23
Rot. Bonds6

About 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide

1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60579858) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
PubChem CID60579858
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(OCC(F)(F)F)c1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)14-27-17-9-4-8-16(12-17)24-19(26)18-10-5-11-25(18)13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,24,26)
InChIKeyJPLHJKRQBJRTBE-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide 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

(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
1-methyl-6-oxo-N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide
CID 146138327
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908608
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide (CID 60579858) is 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(OCC(F)(F)F)c1)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JPLHJKRQBJRTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)14-27-17-9-4-8-16(12-17)24-19(26)18-10-5-11-25(18)13-15-6-2-1-3-7-15/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,24,26).
What are the key properties of 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60579858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).