N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C22H23F3N2O5 — CID 55624142

IUPACN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOCCOc1cc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1OC
InChIInChI=1S/C22H23F3N2O5/c1-30-8-9-32-19-12-16(6-7-18(19)31-2)26-21(29)14-10-20(28)27(13-14)17-5-3-4-15(11-17)22(23,24)25/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,26,29)
InChIKeyPMXSHVGZLJSNOT-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.73
Rot. Bonds8

About N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55624142) has the molecular formula C22H23F3N2O5 and a molecular weight of 452.43 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55624142
Molecular FormulaC22H23F3N2O5
Molecular Weight452.43 g/mol
Exact Mass452.16
IUPAC NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOCCOc1cc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1OC
InChIInChI=1S/C22H23F3N2O5/c1-30-8-9-32-19-12-16(6-7-18(19)31-2)26-21(29)14-10-20(28)27(13-14)17-5-3-4-15(11-17)22(23,24)25/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,26,29)
InChIKeyPMXSHVGZLJSNOT-UHFFFAOYSA-N
XLogP3.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55624339
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
N-(3-chloro-4-methylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188658
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46460905
N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46553483
(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
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55660487
(3S)-5-oxo-N-[4-(tetrazol-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92766158

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 55624142) is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is COCCOc1cc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1OC.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is PMXSHVGZLJSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5/c1-30-8-9-32-19-12-16(6-7-18(19)31-2)26-21(29)14-10-20(28)27(13-14)17-5-3-4-15(11-17)22(23,24)25/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,26,29).
What are the key properties of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 452.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55624142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).