N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide

C16H15F2N3O4 — CID 166256591

IUPACN-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(CC(=O)NC2CC(=O)N(c3c(F)cccc3F)C2)C(=O)N1
InChIInChI=1S/C16H15F2N3O4/c17-10-2-1-3-11(18)15(10)21-7-9(6-14(21)24)19-12(22)4-8-5-13(23)20-16(8)25/h1-3,8-9H,4-7H2,(H,19,22)(H,20,23,25)
InChIKeyWUAQDTJWWFJLTH-UHFFFAOYSA-N
MW351.31 g/mol
LogP0.24
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide

N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide (PubChem CID 166256591) has the molecular formula C16H15F2N3O4 and a molecular weight of 351.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide
PubChem CID166256591
Molecular FormulaC16H15F2N3O4
Molecular Weight351.31 g/mol
Exact Mass351.10
IUPAC NameN-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(CC(=O)NC2CC(=O)N(c3c(F)cccc3F)C2)C(=O)N1
InChIInChI=1S/C16H15F2N3O4/c17-10-2-1-3-11(18)15(10)21-7-9(6-14(21)24)19-12(22)4-8-5-13(23)20-16(8)25/h1-3,8-9H,4-7H2,(H,19,22)(H,20,23,25)
InChIKeyWUAQDTJWWFJLTH-UHFFFAOYSA-N
XLogP0.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615577
N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615578
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166214840
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131952175
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 138998057
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
2-(2-fluorophenoxy)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822267
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 97136714

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide (CID 166256591) is N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide is O=C1CC(CC(=O)NC2CC(=O)N(c3c(F)cccc3F)C2)C(=O)N1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide?
The InChIKey is WUAQDTJWWFJLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O4/c17-10-2-1-3-11(18)15(10)21-7-9(6-14(21)24)19-12(22)4-8-5-13(23)20-16(8)25/h1-3,8-9H,4-7H2,(H,19,22)(H,20,23,25).
What are the key properties of N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide?
N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide has a molecular weight of 351.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 166256591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).