6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione

C14H16FN3O3 — CID 170728005

IUPAC6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione
SMILESNC(=O)c1cc2c(cc1F)CNC2.O=C1CCCC(=O)N1
InChIInChI=1S/C9H9FN2O.C5H7NO2/c10-8-2-6-4-12-3-5(6)1-7(8)9(11)13;7-4-2-1-3-5(8)6-4/h1-2,12H,3-4H2,(H2,11,13);1-3H2,(H,6,7,8)
InChIKeyKBIZWJNEKXAGDV-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.34
Rot. Bonds1

About 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione

6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione (PubChem CID 170728005) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione
PubChem CID170728005
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione
SMILESNC(=O)c1cc2c(cc1F)CNC2.O=C1CCCC(=O)N1
InChIInChI=1S/C9H9FN2O.C5H7NO2/c10-8-2-6-4-12-3-5(6)1-7(8)9(11)13;7-4-2-1-3-5(8)6-4/h1-2,12H,3-4H2,(H2,11,13);1-3H2,(H,6,7,8)
InChIKeyKBIZWJNEKXAGDV-UHFFFAOYSA-N
XLogP0.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
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 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione?
The IUPAC name of 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione (CID 170728005) is 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione?
The canonical SMILES for 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione is NC(=O)c1cc2c(cc1F)CNC2.O=C1CCCC(=O)N1.
What is the InChIKey of 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione?
The InChIKey is KBIZWJNEKXAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O.C5H7NO2/c10-8-2-6-4-12-3-5(6)1-7(8)9(11)13;7-4-2-1-3-5(8)6-4/h1-2,12H,3-4H2,(H2,11,13);1-3H2,(H,6,7,8).
What are the key properties of 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione?
6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione has a molecular weight of 293.30 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-1H-isoindole-5-carboxamide;piperidine-2,6-dione is sourced from PubChem (CID 170728005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).