4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide

C21H14F2N2O2 — CID 46943898

IUPAC4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12
InChIInChI=1S/C21H14F2N2O2/c22-18-4-1-14(11-19(18)23)15-2-3-17(20-16(15)7-10-27-20)21(26)25-12-13-5-8-24-9-6-13/h1-11H,12H2,(H,25,26)
InChIKeyOMJITYJEKIYXBE-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.70
Rot. Bonds4

About 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide

4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide (PubChem CID 46943898) has the molecular formula C21H14F2N2O2 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide
PubChem CID46943898
Molecular FormulaC21H14F2N2O2
Molecular Weight364.35 g/mol
Exact Mass364.10
IUPAC Name4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12
InChIInChI=1S/C21H14F2N2O2/c22-18-4-1-14(11-19(18)23)15-2-3-17(20-16(15)7-10-27-20)21(26)25-12-13-5-8-24-9-6-13/h1-11H,12H2,(H,25,26)
InChIKeyOMJITYJEKIYXBE-UHFFFAOYSA-N
XLogP4.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide (CID 46943898) is 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide is O=C(NCc1ccncc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide?
The InChIKey is OMJITYJEKIYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O2/c22-18-4-1-14(11-19(18)23)15-2-3-17(20-16(15)7-10-27-20)21(26)25-12-13-5-8-24-9-6-13/h1-11H,12H2,(H,25,26).
What are the key properties of 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide?
4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46943898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).