(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide

C21H23F3N2O2 — CID 174801398

IUPAC(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CC(F)(F)CN1CCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H23F3N2O2/c1-15(16-5-3-2-4-6-16)25-20(27)19-13-21(23,24)14-26(19)11-12-28-18-9-7-17(22)8-10-18/h2-10,15,19H,11-14H2,1H3,(H,25,27)/t15?,19-/m1/s1
InChIKeyLIMLRCZWFXFZCD-XCWJXAQQSA-N
MW392.42 g/mol
LogP3.79
Rot. Bonds7

About (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide

(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 174801398) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID174801398
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CC(F)(F)CN1CCOc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H23F3N2O2/c1-15(16-5-3-2-4-6-16)25-20(27)19-13-21(23,24)14-26(19)11-12-28-18-9-7-17(22)8-10-18/h2-10,15,19H,11-14H2,1H3,(H,25,27)/t15?,19-/m1/s1
InChIKeyLIMLRCZWFXFZCD-XCWJXAQQSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)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

(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 130458710
(2R)-4,4-difluoro-N-[(1S)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-(2-phenoxyethyl)piperidine-2-carboxamide
CID 130458690
methyl 4-[(1S)-1-[[(2S)-4,4-difluoro-1-(2-phenoxyethyl)piperidine-2-carbonyl]amino]ethyl]benzoate
CID 122530121
methyl 4-[(1S)-1-[[(2R)-4,4-difluoro-1-(2-phenoxyethyl)piperidine-2-carbonyl]amino]ethyl]benzoate
CID 122530130
4-[(1S)-1-[[(3R)-2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl]benzoic acid;hydrochloride
CID 86280673
methyl 4-[(1R)-1-[[(2S)-1-(2-phenoxyethyl)piperidine-2-carbonyl]amino]ethyl]benzoate
CID 122220426
methyl 4-[(1S)-1-[[(2R,4S)-4-hydroxy-1-(2-phenoxyethyl)piperidine-2-carbonyl]amino]ethyl]benzoate
CID 122530127
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
2-(4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 21173393

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide (CID 174801398) is (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide is CC(NC(=O)[C@H]1CC(F)(F)CN1CCOc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is LIMLRCZWFXFZCD-XCWJXAQQSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-15(16-5-3-2-4-6-16)25-20(27)19-13-21(23,24)14-26(19)11-12-28-18-9-7-17(22)8-10-18/h2-10,15,19H,11-14H2,1H3,(H,25,27)/t15?,19-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide?
(2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-1-[2-(4-fluorophenoxy)ethyl]-N-(1-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 174801398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).