7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide

C15H16FNO3 — CID 78956970

IUPAC7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2(C)COC2)oc2c(F)cccc12
InChIInChI=1S/C15H16FNO3/c1-9-10-4-3-5-11(16)13(10)20-12(9)14(18)17-6-15(2)7-19-8-15/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyTVKNZCMZIUQDGK-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.65
Rot. Bonds3

About 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 78956970) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID78956970
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC2(C)COC2)oc2c(F)cccc12
InChIInChI=1S/C15H16FNO3/c1-9-10-4-3-5-11(16)13(10)20-12(9)14(18)17-6-15(2)7-19-8-15/h3-5H,6-8H2,1-2H3,(H,17,18)
InChIKeyTVKNZCMZIUQDGK-UHFFFAOYSA-N
XLogP2.65
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide (CID 78956970) is 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC2(C)COC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is TVKNZCMZIUQDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-9-10-4-3-5-11(16)13(10)20-12(9)14(18)17-6-15(2)7-19-8-15/h3-5H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78956970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).