methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate

C23H22ClF3N2O4 — CID 55741240

IUPACmethyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1Cl
InChIInChI=1S/C23H22ClF3N2O4/c1-33-21(31)11-19(17-7-2-3-8-18(17)24)28-22(32)15-10-20(30)29(13-15)12-14-5-4-6-16(9-14)23(25,26)27/h2-9,15,19H,10-13H2,1H3,(H,28,32)
InChIKeySSWXEEVFYNDGAB-UHFFFAOYSA-N
MW482.89 g/mol
LogP4.13
Rot. Bonds7

About methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate

methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate (PubChem CID 55741240) has the molecular formula C23H22ClF3N2O4 and a molecular weight of 482.89 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate
PubChem CID55741240
Molecular FormulaC23H22ClF3N2O4
Molecular Weight482.89 g/mol
Exact Mass482.12
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1Cl
InChIInChI=1S/C23H22ClF3N2O4/c1-33-21(31)11-19(17-7-2-3-8-18(17)24)28-22(32)15-10-20(30)29(13-15)12-14-5-4-6-16(9-14)23(25,26)27/h2-9,15,19H,10-13H2,1H3,(H,28,32)
InChIKeySSWXEEVFYNDGAB-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 78881689
5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolidine-3-carboxamide
CID 60556882
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47041524
N-(2-amino-1-cyclopropylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119614384
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47040518
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
2,2-dimethyl-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249849
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97252431
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate (CID 55741240) is methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate is COC(=O)CC(NC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate?
The InChIKey is SSWXEEVFYNDGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N2O4/c1-33-21(31)11-19(17-7-2-3-8-18(17)24)28-22(32)15-10-20(30)29(13-15)12-14-5-4-6-16(9-14)23(25,26)27/h2-9,15,19H,10-13H2,1H3,(H,28,32).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate?
methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate has a molecular weight of 482.89 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 55741240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).