7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide

C14H14FNO3 — CID 24791787

IUPAC7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCOC2)oc2c(F)cccc12
InChIInChI=1S/C14H14FNO3/c1-8-10-3-2-4-11(15)13(10)19-12(8)14(17)16-9-5-6-18-7-9/h2-4,9H,5-7H2,1H3,(H,16,17)
InChIKeyWSMVDYUXPGHAHD-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.40
Rot. Bonds2

About 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide

7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 24791787) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID24791787
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCOC2)oc2c(F)cccc12
InChIInChI=1S/C14H14FNO3/c1-8-10-3-2-4-11(15)13(10)19-12(8)14(17)16-9-5-6-18-7-9/h2-4,9H,5-7H2,1H3,(H,16,17)
InChIKeyWSMVDYUXPGHAHD-UHFFFAOYSA-N
XLogP2.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.40
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-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide (CID 24791787) is 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCOC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is WSMVDYUXPGHAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-8-10-3-2-4-11(15)13(10)19-12(8)14(17)16-9-5-6-18-7-9/h2-4,9H,5-7H2,1H3,(H,16,17).
What are the key properties of 7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide?
7-fluoro-3-methyl-N-(oxolan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 263.27 g/mol, XLogP of 2.40, 2 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-(oxolan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24791787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).