4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide

C17H12FNO4 — CID 3343673

IUPAC4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide
SMILESO=C(NC1CC(=O)c2cc3c(cc21)OCO3)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO4/c18-10-3-1-9(2-4-10)17(21)19-13-7-14(20)12-6-16-15(5-11(12)13)22-8-23-16/h1-6,13H,7-8H2,(H,19,21)
InChIKeyQLPXZILWFRAFJP-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.61
Rot. Bonds2

About 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide

4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide (PubChem CID 3343673) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide
PubChem CID3343673
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide
SMILESO=C(NC1CC(=O)c2cc3c(cc21)OCO3)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO4/c18-10-3-1-9(2-4-10)17(21)19-13-7-14(20)12-6-16-15(5-11(12)13)22-8-23-16/h1-6,13H,7-8H2,(H,19,21)
InChIKeyQLPXZILWFRAFJP-UHFFFAOYSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide (CID 3343673) is 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide is O=C(NC1CC(=O)c2cc3c(cc21)OCO3)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide?
The InChIKey is QLPXZILWFRAFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-10-3-1-9(2-4-10)17(21)19-13-7-14(20)12-6-16-15(5-11(12)13)22-8-23-16/h1-6,13H,7-8H2,(H,19,21).
What are the key properties of 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide?
4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide has a molecular weight of 313.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide is sourced from PubChem (CID 3343673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).