(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate

C11H9FN2O4 — CID 71383197

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)ON1C(=O)CCC1=O
InChIInChI=1S/C11H9FN2O4/c12-7-3-1-2-4-8(7)13-11(17)18-14-9(15)5-6-10(14)16/h1-4H,5-6H2,(H,13,17)
InChIKeyZJPMDFCAAHGNNI-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.44
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate

(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate (PubChem CID 71383197) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
PubChem CID71383197
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)ON1C(=O)CCC1=O
InChIInChI=1S/C11H9FN2O4/c12-7-3-1-2-4-8(7)13-11(17)18-14-9(15)5-6-10(14)16/h1-4H,5-6H2,(H,13,17)
InChIKeyZJPMDFCAAHGNNI-UHFFFAOYSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.44
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

phenyl N-(2-fluorophenyl)carbamate
CID 3790948
4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]indazole-1-carboxylic acid
CID 141178759
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 15817683
11-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)undecanamide
CID 17035126
(2,5-dioxopyrrolidin-1-yl) N-[3-(dimethylamino)phenyl]carbamate
CID 87207235
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate
CID 14276839
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate (CID 71383197) is (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate?
The InChIKey is ZJPMDFCAAHGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c12-7-3-1-2-4-8(7)13-11(17)18-14-9(15)5-6-10(14)16/h1-4H,5-6H2,(H,13,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate has a molecular weight of 252.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 71383197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).