N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide

C12H11FN2O3 — CID 138460839

IUPACN-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2F)C(=O)N1
InChIInChI=1S/C12H11FN2O3/c13-8-3-1-2-4-9(8)14-11(17)7-5-6-10(16)15-12(7)18/h1-4,7H,5-6H2,(H,14,17)(H,15,16,18)
InChIKeyMMIZGZRRTKIUSB-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.82
Rot. Bonds2

About N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide

N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide (PubChem CID 138460839) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
PubChem CID138460839
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC NameN-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2F)C(=O)N1
InChIInChI=1S/C12H11FN2O3/c13-8-3-1-2-4-9(8)14-11(17)7-5-6-10(16)15-12(7)18/h1-4,7H,5-6H2,(H,14,17)(H,15,16,18)
InChIKeyMMIZGZRRTKIUSB-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide 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

trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858
N-(2-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566014
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24690959
(5S)-N-(2-fluorophenyl)-2-methylsulfanyl-4,7-dioxo-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136884865
N-(2-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine-5-carboxamide
CID 135658700
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748
(4S)-N-(2-fluorophenyl)-6-oxo-2-(4-phenylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 41066059
1-benzyl-N-(2-fluorophenyl)-2,4,7-trioxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carboxamide
CID 51055130
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide (CID 138460839) is N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2F)C(=O)N1.
What is the InChIKey of N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide?
The InChIKey is MMIZGZRRTKIUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-8-3-1-2-4-9(8)14-11(17)7-5-6-10(16)15-12(7)18/h1-4,7H,5-6H2,(H,14,17)(H,15,16,18).
What are the key properties of N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide?
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide is sourced from PubChem (CID 138460839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).