1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide

C20H18Cl2F3N3O3 — CID 166541364

IUPAC1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H18Cl2F3N3O3/c1-19(8-17(29)28(10-19)15-6-13(21)5-14(22)7-15)18(30)27-9-12-2-3-26-16(4-12)31-11-20(23,24)25/h2-7H,8-11H2,1H3,(H,27,30)
InChIKeyVOIMKYUFYVQHSJ-UHFFFAOYSA-N
MW476.28 g/mol
LogP4.39
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide

1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 166541364) has the molecular formula C20H18Cl2F3N3O3 and a molecular weight of 476.28 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
PubChem CID166541364
Molecular FormulaC20H18Cl2F3N3O3
Molecular Weight476.28 g/mol
Exact Mass475.07
IUPAC Name1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC(=O)N(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C20H18Cl2F3N3O3/c1-19(8-17(29)28(10-19)15-6-13(21)5-14(22)7-15)18(30)27-9-12-2-3-26-16(4-12)31-11-20(23,24)25/h2-7H,8-11H2,1H3,(H,27,30)
InChIKeyVOIMKYUFYVQHSJ-UHFFFAOYSA-N
XLogP4.39
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-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

1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide
CID 166541706
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111131707
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
methyl 1-(3,5-dichlorophenyl)-3-methyl-5-oxopyrrolidine-3-carboxylate
CID 166541715
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171786984
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide (CID 166541364) is 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide is CC1(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC(=O)N(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is VOIMKYUFYVQHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N3O3/c1-19(8-17(29)28(10-19)15-6-13(21)5-14(22)7-15)18(30)27-9-12-2-3-26-16(4-12)31-11-20(23,24)25/h2-7H,8-11H2,1H3,(H,27,30).
What are the key properties of 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide?
1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 476.28 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-methyl-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 166541364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).