2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C18H15F4N3O2 — CID 67361056

IUPAC2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(CN1CCC(c2ccc(F)cc2)C1=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H15F4N3O2/c19-13-4-1-11(2-5-13)14-7-8-25(17(14)27)10-16(26)24-15-6-3-12(9-23-15)18(20,21)22/h1-6,9,14H,7-8,10H2,(H,23,24,26)
InChIKeyJESFCADEKHHABO-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.19
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 67361056) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID67361056
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESO=C(CN1CCC(c2ccc(F)cc2)C1=O)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C18H15F4N3O2/c19-13-4-1-11(2-5-13)14-7-8-25(17(14)27)10-16(26)24-15-6-3-12(9-23-15)18(20,21)22/h1-6,9,14H,7-8,10H2,(H,23,24,26)
InChIKeyJESFCADEKHHABO-UHFFFAOYSA-N
XLogP3.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 67444981
N-(5-bromo-2-pyridinyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 55529234
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
(2S,4R)-4-hydroxy-N-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 67953443
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423191
4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216388
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729
tert-butyl 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 58563967
N-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydropyrazol-2-yl]acetamide
CID 139628128
4-[[2-methyl-1-oxo-1-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]sulfanylmethyl]piperidine-1-carboxylic acid
CID 151338790
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 67361056) is 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is O=C(CN1CCC(c2ccc(F)cc2)C1=O)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is JESFCADEKHHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c19-13-4-1-11(2-5-13)14-7-8-25(17(14)27)10-16(26)24-15-6-3-12(9-23-15)18(20,21)22/h1-6,9,14H,7-8,10H2,(H,23,24,26).
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 381.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 67361056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).