[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid

C12H12FN3O4 — CID 154941373

IUPAC[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1cc(NC2CCC(=O)NC2=O)ccc1F
InChIInChI=1S/C12H12FN3O4/c13-7-2-1-6(5-9(7)15-12(19)20)14-8-3-4-10(17)16-11(8)18/h1-2,5,8,14-15H,3-4H2,(H,19,20)(H,16,17,18)
InChIKeyUHVKWFDKXWATRQ-UHFFFAOYSA-N
MW281.24 g/mol
LogP1.13
Rot. Bonds3

About [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid

[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid (PubChem CID 154941373) has the molecular formula C12H12FN3O4 and a molecular weight of 281.24 g/mol. Its IUPAC name is [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid.

Molecular Properties

Compound Name[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
PubChem CID154941373
Molecular FormulaC12H12FN3O4
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid
SMILESO=C(O)Nc1cc(NC2CCC(=O)NC2=O)ccc1F
InChIInChI=1S/C12H12FN3O4/c13-7-2-1-6(5-9(7)15-12(19)20)14-8-3-4-10(17)16-11(8)18/h1-2,5,8,14-15H,3-4H2,(H,19,20)(H,16,17,18)
InChIKeyUHVKWFDKXWATRQ-UHFFFAOYSA-N
XLogP1.13
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid?
The IUPAC name of [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid (CID 154941373) is [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid.
What is the SMILES notation for [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid?
The canonical SMILES for [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid is O=C(O)Nc1cc(NC2CCC(=O)NC2=O)ccc1F.
What is the InChIKey of [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid?
The InChIKey is UHVKWFDKXWATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4/c13-7-2-1-6(5-9(7)15-12(19)20)14-8-3-4-10(17)16-11(8)18/h1-2,5,8,14-15H,3-4H2,(H,19,20)(H,16,17,18).
What are the key properties of [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid?
[5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid has a molecular weight of 281.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]carbamic acid is sourced from PubChem (CID 154941373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).