5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one

C17H12F2N2O4 — CID 91934396

IUPAC5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one
SMILESO=NC1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(F)cc21
InChIInChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
InChIKeyIMZIMTGGFNPNNN-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.19
Rot. Bonds3

About 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one

5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one (PubChem CID 91934396) has the molecular formula C17H12F2N2O4 and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one
PubChem CID91934396
Molecular FormulaC17H12F2N2O4
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC Name5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one
SMILESO=NC1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(F)cc21
InChIInChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2
InChIKeyIMZIMTGGFNPNNN-UHFFFAOYSA-N
XLogP3.19
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one?
The IUPAC name of 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one (CID 91934396) is 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one.
What is the SMILES notation for 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one?
The canonical SMILES for 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one is O=NC1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one?
The InChIKey is IMZIMTGGFNPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,15H,6-8H2.
What are the key properties of 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one?
5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one has a molecular weight of 346.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-3H-indol-2-one is sourced from PubChem (CID 91934396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).