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

C20H19F3N2O3 — CID 113184480

IUPAC1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN1CC(C(=O)Nc2ccc(F)c(F)c2F)CC1=O
InChIInChI=1S/C20H19F3N2O3/c1-28-16-5-3-2-4-12(16)8-9-25-11-13(10-17(25)26)20(27)24-15-7-6-14(21)18(22)19(15)23/h2-7,13H,8-11H2,1H3,(H,24,27)
InChIKeyOEYRMJJDAACZKJ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.14
Rot. Bonds6

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

1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 113184480) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID113184480
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN1CC(C(=O)Nc2ccc(F)c(F)c2F)CC1=O
InChIInChI=1S/C20H19F3N2O3/c1-28-16-5-3-2-4-12(16)8-9-25-11-13(10-17(25)26)20(27)24-15-7-6-14(21)18(22)19(15)23/h2-7,13H,8-11H2,1H3,(H,24,27)
InChIKeyOEYRMJJDAACZKJ-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184474
N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
N-(4-acetylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184463
N-(4-tert-butylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184440
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113184435
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 110204117
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 91822785
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24979390
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113182447

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide (CID 113184480) is 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is COc1ccccc1CCN1CC(C(=O)Nc2ccc(F)c(F)c2F)CC1=O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is OEYRMJJDAACZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-28-16-5-3-2-4-12(16)8-9-25-11-13(10-17(25)26)20(27)24-15-7-6-14(21)18(22)19(15)23/h2-7,13H,8-11H2,1H3,(H,24,27).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide?
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113184480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).