N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide

C19H15FN2O3 — CID 167776584

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1coc2cc(O)ccc12
InChIInChI=1S/C19H15FN2O3/c20-12-1-4-17-15(7-12)11(9-22-17)5-6-21-19(24)16-10-25-18-8-13(23)2-3-14(16)18/h1-4,7-10,22-23H,5-6H2,(H,21,24)
InChIKeyNPPRRBJKZTZDJY-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.73
Rot. Bonds4

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide (PubChem CID 167776584) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide
PubChem CID167776584
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)c1coc2cc(O)ccc12
InChIInChI=1S/C19H15FN2O3/c20-12-1-4-17-15(7-12)11(9-22-17)5-6-21-19(24)16-10-25-18-8-13(23)2-3-14(16)18/h1-4,7-10,22-23H,5-6H2,(H,21,24)
InChIKeyNPPRRBJKZTZDJY-UHFFFAOYSA-N
XLogP3.73
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide (CID 167776584) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)c1coc2cc(O)ccc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide?
The InChIKey is NPPRRBJKZTZDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-12-1-4-17-15(7-12)11(9-22-17)5-6-21-19(24)16-10-25-18-8-13(23)2-3-14(16)18/h1-4,7-10,22-23H,5-6H2,(H,21,24).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-hydroxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).