4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide

C18H10FNO3S — CID 2817125

IUPAC4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide
SMILESO=C(Nc1scc2c1c(=O)oc1ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H10FNO3S/c19-11-7-5-10(6-8-11)16(21)20-17-15-13(9-24-17)12-3-1-2-4-14(12)23-18(15)22/h1-9H,(H,20,21)
InChIKeyCLEHQBZOOQBVMI-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.40
Rot. Bonds2

About 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide

4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide (PubChem CID 2817125) has the molecular formula C18H10FNO3S and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide
PubChem CID2817125
Molecular FormulaC18H10FNO3S
Molecular Weight339.35 g/mol
Exact Mass339.04
IUPAC Name4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide
SMILESO=C(Nc1scc2c1c(=O)oc1ccccc12)c1ccc(F)cc1
InChIInChI=1S/C18H10FNO3S/c19-11-7-5-10(6-8-11)16(21)20-17-15-13(9-24-17)12-3-1-2-4-14(12)23-18(15)22/h1-9H,(H,20,21)
InChIKeyCLEHQBZOOQBVMI-UHFFFAOYSA-N
XLogP4.40
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide (CID 2817125) is 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide is O=C(Nc1scc2c1c(=O)oc1ccccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide?
The InChIKey is CLEHQBZOOQBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FNO3S/c19-11-7-5-10(6-8-11)16(21)20-17-15-13(9-24-17)12-3-1-2-4-14(12)23-18(15)22/h1-9H,(H,20,21).
What are the key properties of 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide?
4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide has a molecular weight of 339.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxothieno[3,4-c]chromen-3-yl)benzamide is sourced from PubChem (CID 2817125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).