3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one

C15H12FNO2 — CID 3152831

IUPAC3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one
SMILESCc1ccc(F)c(NC2OC(=O)c3ccccc32)c1
InChIInChI=1S/C15H12FNO2/c1-9-6-7-12(16)13(8-9)17-14-10-4-2-3-5-11(10)15(18)19-14/h2-8,14,17H,1H3
InChIKeyNNYCDDARGIBWJL-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.42
Rot. Bonds2

About 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one

3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one (PubChem CID 3152831) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one
PubChem CID3152831
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one
SMILESCc1ccc(F)c(NC2OC(=O)c3ccccc32)c1
InChIInChI=1S/C15H12FNO2/c1-9-6-7-12(16)13(8-9)17-14-10-4-2-3-5-11(10)15(18)19-14/h2-8,14,17H,1H3
InChIKeyNNYCDDARGIBWJL-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one (CID 3152831) is 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one is Cc1ccc(F)c(NC2OC(=O)c3ccccc32)c1.
What is the InChIKey of 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one?
The InChIKey is NNYCDDARGIBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-9-6-7-12(16)13(8-9)17-14-10-4-2-3-5-11(10)15(18)19-14/h2-8,14,17H,1H3.
What are the key properties of 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one?
3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one has a molecular weight of 257.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).