4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide

C21H17FN2O3 — CID 86764449

IUPAC4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)oc2cncc(F)c23)c1
InChIInChI=1S/C21H17FN2O3/c1-12(13-4-3-5-15(8-13)26-2)24-21(25)14-6-7-16-18(9-14)27-19-11-23-10-17(22)20(16)19/h3-12H,1-2H3,(H,24,25)/t12-/m1/s1
InChIKeyYHEIUOYLRBHKNG-GFCCVEGCSA-N
MW364.38 g/mol
LogP4.62
Rot. Bonds4

About 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide

4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (PubChem CID 86764449) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
PubChem CID86764449
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)oc2cncc(F)c23)c1
InChIInChI=1S/C21H17FN2O3/c1-12(13-4-3-5-15(8-13)26-2)24-21(25)14-6-7-16-18(9-14)27-19-11-23-10-17(22)20(16)19/h3-12H,1-2H3,(H,24,25)/t12-/m1/s1
InChIKeyYHEIUOYLRBHKNG-GFCCVEGCSA-N
XLogP4.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (CID 86764449) is 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)oc2cncc(F)c23)c1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The InChIKey is YHEIUOYLRBHKNG-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-12(13-4-3-5-15(8-13)26-2)24-21(25)14-6-7-16-18(9-14)27-19-11-23-10-17(22)20(16)19/h3-12H,1-2H3,(H,24,25)/t12-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 86764449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).