1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide

C20H17F5N2O3 — CID 55617951

IUPAC1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C20H17F5N2O3/c1-26(10-12-2-5-15(6-3-12)30-20(23,24)25)19(29)13-8-18(28)27(11-13)17-7-4-14(21)9-16(17)22/h2-7,9,13H,8,10-11H2,1H3
InChIKeyJYGLTHQAYLQGHY-UHFFFAOYSA-N
MW428.36 g/mol
LogP3.87
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide

1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55617951) has the molecular formula C20H17F5N2O3 and a molecular weight of 428.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55617951
Molecular FormulaC20H17F5N2O3
Molecular Weight428.36 g/mol
Exact Mass428.12
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
InChIInChI=1S/C20H17F5N2O3/c1-26(10-12-2-5-15(6-3-12)30-20(23,24)25)19(29)13-8-18(28)27(11-13)17-7-4-14(21)9-16(17)22/h2-7,9,13H,8,10-11H2,1H3
InChIKeyJYGLTHQAYLQGHY-UHFFFAOYSA-N
XLogP3.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

5-[[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221905
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46422767
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
1-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55887495
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
(3R)-1-(2-fluorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51925069
N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86929622
N-benzyl-1-(2,4-difluorophenyl)-5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 86897676
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691693
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
1-[2-amino-4-(trifluoromethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697980
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55572896

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide (CID 55617951) is 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is JYGLTHQAYLQGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N2O3/c1-26(10-12-2-5-15(6-3-12)30-20(23,24)25)19(29)13-8-18(28)27(11-13)17-7-4-14(21)9-16(17)22/h2-7,9,13H,8,10-11H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 428.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-5-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55617951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).