2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide

C22H23FN4O3 — CID 5145620

IUPAC2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C22H23FN4O3/c23-16-6-8-18(9-7-16)27-21(29)14-19(22(27)30)26-12-10-25(11-13-26)15-20(28)24-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,24,28)
InChIKeyQYGBLUZNTWBPRT-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide

2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 5145620) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
PubChem CID5145620
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)Nc1ccccc1
InChIInChI=1S/C22H23FN4O3/c23-16-6-8-18(9-7-16)27-21(29)14-19(22(27)30)26-12-10-25(11-13-26)15-20(28)24-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,24,28)
InChIKeyQYGBLUZNTWBPRT-UHFFFAOYSA-N
XLogP1.71
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(3S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
CID 92764754
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3S)-1-(4-fluorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1040804
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
[2-(4-fluorophenyl)-2-oxoethyl] 4-[3-(4-benzylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21168223
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
4-[(3R)-3-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 51637766
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 3106521
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide (CID 5145620) is 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is QYGBLUZNTWBPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c23-16-6-8-18(9-7-16)27-21(29)14-19(22(27)30)26-12-10-25(11-13-26)15-20(28)24-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,24,28).
What are the key properties of 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 410.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 5145620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).