N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide

C13H13FN2O3 — CID 11043632

IUPACN-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide
SMILESO=C(NCc1ccccc1)C(F)N1C(=O)CCC1=O
InChIInChI=1S/C13H13FN2O3/c14-12(16-10(17)6-7-11(16)18)13(19)15-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,15,19)
InChIKeyKKSYPTXIJFRJPV-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.75
Rot. Bonds4

About N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide

N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide (PubChem CID 11043632) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide
PubChem CID11043632
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC NameN-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide
SMILESO=C(NCc1ccccc1)C(F)N1C(=O)CCC1=O
InChIInChI=1S/C13H13FN2O3/c14-12(16-10(17)6-7-11(16)18)13(19)15-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,15,19)
InChIKeyKKSYPTXIJFRJPV-UHFFFAOYSA-N
XLogP0.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-benzyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742614
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CID 5278763
N-benzyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 118729030
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 118729041
N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 118729021
N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 50758149
N-benzyl-2-[3-(dimethylamino)-2,5-dioxopyrrolidin-1-yl]propanamide;hydrochloride
CID 164773853
2-amino-N-benzyl-3-(difluoromethoxy)propanamide
CID 23649017
N-benzyl-2,2-bis(4-chlorophenyl)acetamide
CID 1144143
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
CID 3942749
N-benzyl-3-cyclopropyl-2,3-dihydroxypropanamide
CID 70849144

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide?
The IUPAC name of N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide (CID 11043632) is N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide.
What is the SMILES notation for N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide?
The canonical SMILES for N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide is O=C(NCc1ccccc1)C(F)N1C(=O)CCC1=O.
What is the InChIKey of N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide?
The InChIKey is KKSYPTXIJFRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-12(16-10(17)6-7-11(16)18)13(19)15-8-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H,15,19).
What are the key properties of N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide?
N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide has a molecular weight of 264.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)-2-fluoroacetamide is sourced from PubChem (CID 11043632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).