5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide

C18H17FN2O3 — CID 154874486

IUPAC5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCCOc1cncc(NC(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C18H17FN2O3/c1-3-6-23-14-8-13(9-20-10-14)21-18(22)17-11(2)15-7-12(19)4-5-16(15)24-17/h4-5,7-10H,3,6H2,1-2H3,(H,21,22)
InChIKeyHQABQJRROWMQSH-UHFFFAOYSA-N
MW328.34 g/mol
LogP4.32
Rot. Bonds5

About 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 154874486) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID154874486
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCCCOc1cncc(NC(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C18H17FN2O3/c1-3-6-23-14-8-13(9-20-10-14)21-18(22)17-11(2)15-7-12(19)4-5-16(15)24-17/h4-5,7-10H,3,6H2,1-2H3,(H,21,22)
InChIKeyHQABQJRROWMQSH-UHFFFAOYSA-N
XLogP4.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide (CID 154874486) is 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide is CCCOc1cncc(NC(=O)c2oc3ccc(F)cc3c2C)c1.
What is the InChIKey of 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is HQABQJRROWMQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-3-6-23-14-8-13(9-20-10-14)21-18(22)17-11(2)15-7-12(19)4-5-16(15)24-17/h4-5,7-10H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(5-propoxy-3-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154874486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).