1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide

C21H21F3N2O4 — CID 55803413

IUPAC1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C21H21F3N2O4/c1-29-18-5-3-2-4-17(18)26-13-14(12-19(26)27)20(28)25-10-11-30-16-8-6-15(7-9-16)21(22,23)24/h2-9,14H,10-13H2,1H3,(H,25,28)
InChIKeyGDLKCQAHGAHBAG-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.26
Rot. Bonds7

About 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide

1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide (PubChem CID 55803413) has the molecular formula C21H21F3N2O4 and a molecular weight of 422.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
PubChem CID55803413
Molecular FormulaC21H21F3N2O4
Molecular Weight422.40 g/mol
Exact Mass422.15
IUPAC Name1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C21H21F3N2O4/c1-29-18-5-3-2-4-17(18)26-13-14(12-19(26)27)20(28)25-10-11-30-16-8-6-15(7-9-16)21(22,23)24/h2-9,14H,10-13H2,1H3,(H,25,28)
InChIKeyGDLKCQAHGAHBAG-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
(3R)-1-(2-methoxyphenyl)-N-[2-(3-methylbut-2-enoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97161779
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25332412
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190754
1-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186244
(3R)-1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9351564
1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17187446
(3S)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29133806

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide (CID 55803413) is 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GDLKCQAHGAHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O4/c1-29-18-5-3-2-4-17(18)26-13-14(12-19(26)27)20(28)25-10-11-30-16-8-6-15(7-9-16)21(22,23)24/h2-9,14H,10-13H2,1H3,(H,25,28).
What are the key properties of 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide?
1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 422.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55803413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).