2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide

C14H15FN2O4 — CID 118729041

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(NCc1ccccc1F)C(CO)N1C(=O)CCC1=O
InChIInChI=1S/C14H15FN2O4/c15-10-4-2-1-3-9(10)7-16-14(21)11(8-18)17-12(19)5-6-13(17)20/h1-4,11,18H,5-8H2,(H,16,21)
InChIKeyAYUFUBISNMWOOB-UHFFFAOYSA-N
MW294.28 g/mol
LogP-0.05
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide (PubChem CID 118729041) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
PubChem CID118729041
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
SMILESO=C(NCc1ccccc1F)C(CO)N1C(=O)CCC1=O
InChIInChI=1S/C14H15FN2O4/c15-10-4-2-1-3-9(10)7-16-14(21)11(8-18)17-12(19)5-6-13(17)20/h1-4,11,18H,5-8H2,(H,16,21)
InChIKeyAYUFUBISNMWOOB-UHFFFAOYSA-N
XLogP-0.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 6598861
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide
CID 11043632
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[(2-fluorophenyl)methyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
CID 110384380
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
2-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]-3-methylpentanamide
CID 84873550
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide (CID 118729041) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide is O=C(NCc1ccccc1F)C(CO)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
The InChIKey is AYUFUBISNMWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-10-4-2-1-3-9(10)7-16-14(21)11(8-18)17-12(19)5-6-13(17)20/h1-4,11,18H,5-8H2,(H,16,21).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide has a molecular weight of 294.28 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 118729041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).