6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide

C9H7FN2O2 — CID 118407950

IUPAC6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2c1C(=O)NC2
InChIInChI=1S/C9H7FN2O2/c10-5-1-4-3-12-9(14)7(4)6(2-5)8(11)13/h1-2H,3H2,(H2,11,13)(H,12,14)
InChIKeySPLJBHPPMXWXEZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.17
Rot. Bonds1

About 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide

6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide (PubChem CID 118407950) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide
PubChem CID118407950
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cc(F)cc2c1C(=O)NC2
InChIInChI=1S/C9H7FN2O2/c10-5-1-4-3-12-9(14)7(4)6(2-5)8(11)13/h1-2H,3H2,(H2,11,13)(H,12,14)
InChIKeySPLJBHPPMXWXEZ-UHFFFAOYSA-N
XLogP0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide?
The IUPAC name of 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide (CID 118407950) is 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide?
The canonical SMILES for 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide is NC(=O)c1cc(F)cc2c1C(=O)NC2.
What is the InChIKey of 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide?
The InChIKey is SPLJBHPPMXWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-5-1-4-3-12-9(14)7(4)6(2-5)8(11)13/h1-2H,3H2,(H2,11,13)(H,12,14).
What are the key properties of 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide?
6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide has a molecular weight of 194.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-oxo-1,2-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 118407950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).