1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

C19H15F5N2O2 — CID 46485730

IUPAC1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C19H15F5N2O2/c20-13-6-5-11(14(8-13)19(22,23)24)9-25-18(28)12-7-17(27)26(10-12)16-4-2-1-3-15(16)21/h1-6,8,12H,7,9-10H2,(H,25,28)
InChIKeyZCBAJDOOGIHQOY-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46485730) has the molecular formula C19H15F5N2O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46485730
Molecular FormulaC19H15F5N2O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC Name1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C19H15F5N2O2/c20-13-6-5-11(14(8-13)19(22,23)24)9-25-18(28)12-7-17(27)26(10-12)16-4-2-1-3-15(16)21/h1-6,8,12H,7,9-10H2,(H,25,28)
InChIKeyZCBAJDOOGIHQOY-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 51949055
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30933533
(3S)-N-[2-(4-fluorophenoxy)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 37362337
tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188537
N-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49337447
(3R)-1-(2-fluorophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 8572964
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119237470
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
(3S)-1-(2-fluorophenyl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 30797079
N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
1-(2-fluorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55507733

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 46485730) is 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZCBAJDOOGIHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O2/c20-13-6-5-11(14(8-13)19(22,23)24)9-25-18(28)12-7-17(27)26(10-12)16-4-2-1-3-15(16)21/h1-6,8,12H,7,9-10H2,(H,25,28).
What are the key properties of 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46485730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).