N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H20F3N3O4 — CID 46460905

IUPACN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C21H20F3N3O4/c1-25-18(28)12-31-17-7-3-5-15(10-17)26-20(30)13-8-19(29)27(11-13)16-6-2-4-14(9-16)21(22,23)24/h2-7,9-10,13H,8,11-12H2,1H3,(H,25,28)(H,26,30)
InChIKeyFMPGUPVDWVCUQV-UHFFFAOYSA-N
MW435.40 g/mol
LogP2.82
Rot. Bonds6

About N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46460905) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46460905
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C21H20F3N3O4/c1-25-18(28)12-31-17-7-3-5-15(10-17)26-20(30)13-8-19(29)27(11-13)16-6-2-4-14(9-16)21(22,23)24/h2-7,9-10,13H,8,11-12H2,1H3,(H,25,28)(H,26,30)
InChIKeyFMPGUPVDWVCUQV-UHFFFAOYSA-N
XLogP2.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230
(3S)-N-methyl-5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 40977684
1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55671788
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46440498
5-oxo-1-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55654529
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55624142
(3S)-5-oxo-1-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-N-propylpyrrolidine-3-carboxamide
CID 126165123

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46460905) is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FMPGUPVDWVCUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-25-18(28)12-31-17-7-3-5-15(10-17)26-20(30)13-8-19(29)27(11-13)16-6-2-4-14(9-16)21(22,23)24/h2-7,9-10,13H,8,11-12H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46460905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).