3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide

C21H18FN3O4 — CID 16822301

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H18FN3O4/c22-13-5-7-15(8-6-13)25-12-14(11-19(25)27)23-18(26)9-10-24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8,14H,9-12H2,(H,23,26)
InChIKeySMSWITAHBQEULU-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.73
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide (PubChem CID 16822301) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
PubChem CID16822301
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H18FN3O4/c22-13-5-7-15(8-6-13)25-12-14(11-19(25)27)23-18(26)9-10-24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8,14H,9-12H2,(H,23,26)
InChIKeySMSWITAHBQEULU-UHFFFAOYSA-N
XLogP1.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7563765
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
3-(1,3-dioxoisoindol-2-yl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971149
3-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563558
4-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 7547526
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 16822370
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564007
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7564006
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 7563674
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 43971017
ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 7563752

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide (CID 16822301) is 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NC1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
The InChIKey is SMSWITAHBQEULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c22-13-5-7-15(8-6-13)25-12-14(11-19(25)27)23-18(26)9-10-24-20(28)16-3-1-2-4-17(16)21(24)29/h1-8,14H,9-12H2,(H,23,26).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide has a molecular weight of 395.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 16822301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).