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

C20H15FN2O3 — CID 86764448

IUPAC4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)oc2cncc(F)c23)c1
InChIInChI=1S/C20H15FN2O3/c1-25-14-4-2-3-12(7-14)9-23-20(24)13-5-6-15-17(8-13)26-18-11-22-10-16(21)19(15)18/h2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyBZNCLGNOCBYFCP-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.06
Rot. Bonds4

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

4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (PubChem CID 86764448) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
PubChem CID86764448
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)oc2cncc(F)c23)c1
InChIInChI=1S/C20H15FN2O3/c1-25-14-4-2-3-12(7-14)9-23-20(24)13-5-6-15-17(8-13)26-18-11-22-10-16(21)19(15)18/h2-8,10-11H,9H2,1H3,(H,23,24)
InChIKeyBZNCLGNOCBYFCP-UHFFFAOYSA-N
XLogP4.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (CID 86764448) is 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is COc1cccc(CNC(=O)c2ccc3c(c2)oc2cncc(F)c23)c1.
What is the InChIKey of 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The InChIKey is BZNCLGNOCBYFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-25-14-4-2-3-12(7-14)9-23-20(24)13-5-6-15-17(8-13)26-18-11-22-10-16(21)19(15)18/h2-8,10-11H,9H2,1H3,(H,23,24).
What are the key properties of 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-methoxyphenyl)methyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 86764448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).