3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide

C14H15FN2O3 — CID 98177833

IUPAC3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESNC(=O)CCN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H15FN2O3/c15-11-3-1-9(2-4-11)7-10-8-13(19)17(14(10)20)6-5-12(16)18/h1-4,10H,5-8H2,(H2,16,18)/t10-/m1/s1
InChIKeyQGZZVUHUOWJRHK-SNVBAGLBSA-N
MW278.28 g/mol
LogP0.62
Rot. Bonds5

About 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide

3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 98177833) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID98177833
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESNC(=O)CCN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H15FN2O3/c15-11-3-1-9(2-4-11)7-10-8-13(19)17(14(10)20)6-5-12(16)18/h1-4,10H,5-8H2,(H2,16,18)/t10-/m1/s1
InChIKeyQGZZVUHUOWJRHK-SNVBAGLBSA-N
XLogP0.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 71861614
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)pyrrolidine-2,5-dione
CID 96529480
(3S)-3-[(4-fluorophenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-2,5-dione
CID 97319052
2-[3-[(3,5-difluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458255
2-[(3S)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 125130792
3-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2910200
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
2-[3-[(4-tert-butylphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458273
3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 122418919
2-[3-[(3-chloro-4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458270
(3S)-3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 795685
(3R)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 98202152

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide (CID 98177833) is 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide is NC(=O)CCN1C(=O)C[C@@H](Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is QGZZVUHUOWJRHK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-11-3-1-9(2-4-11)7-10-8-13(19)17(14(10)20)6-5-12(16)18/h1-4,10H,5-8H2,(H2,16,18)/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide?
3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 278.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 98177833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).