3-fluoro-N-(2-oxochromen-6-yl)benzamide

C16H10FNO3 — CID 965724

IUPAC3-fluoro-N-(2-oxochromen-6-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(F)c1
InChIInChI=1S/C16H10FNO3/c17-12-3-1-2-11(8-12)16(20)18-13-5-6-14-10(9-13)4-7-15(19)21-14/h1-9H,(H,18,20)
InChIKeyXFIMQNFZYKXEFU-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.18
Rot. Bonds2

About 3-fluoro-N-(2-oxochromen-6-yl)benzamide

3-fluoro-N-(2-oxochromen-6-yl)benzamide (PubChem CID 965724) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 3-fluoro-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-oxochromen-6-yl)benzamide
PubChem CID965724
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name3-fluoro-N-(2-oxochromen-6-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(F)c1
InChIInChI=1S/C16H10FNO3/c17-12-3-1-2-11(8-12)16(20)18-13-5-6-14-10(9-13)4-7-15(19)21-14/h1-9H,(H,18,20)
InChIKeyXFIMQNFZYKXEFU-UHFFFAOYSA-N
XLogP3.18
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-oxochromen-6-yl)benzamide (CID 965724) is 3-fluoro-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-oxochromen-6-yl)benzamide is O=C(Nc1ccc2oc(=O)ccc2c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is XFIMQNFZYKXEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-12-3-1-2-11(8-12)16(20)18-13-5-6-14-10(9-13)4-7-15(19)21-14/h1-9H,(H,18,20).
What are the key properties of 3-fluoro-N-(2-oxochromen-6-yl)benzamide?
3-fluoro-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 283.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 965724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).