2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide

C23H16FN5O2 — CID 59275417

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc12
InChIInChI=1S/C23H16FN5O2/c1-25-23(30)20-18-12-15(14-3-2-4-16(11-14)22-26-28-29-27-22)7-10-19(18)31-21(20)13-5-8-17(24)9-6-13/h2-12H,1H3,(H,25,30)(H,26,27,28,29)
InChIKeyUQFAZTUTPZCSAJ-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.45
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275417) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275417
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc12
InChIInChI=1S/C23H16FN5O2/c1-25-23(30)20-18-12-15(14-3-2-4-16(11-14)22-26-28-29-27-22)7-10-19(18)31-21(20)13-5-8-17(24)9-6-13/h2-12H,1H3,(H,25,30)(H,26,27,28,29)
InChIKeyUQFAZTUTPZCSAJ-UHFFFAOYSA-N
XLogP4.45
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide (CID 59275417) is 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is UQFAZTUTPZCSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c1-25-23(30)20-18-12-15(14-3-2-4-16(11-14)22-26-28-29-27-22)7-10-19(18)31-21(20)13-5-8-17(24)9-6-13/h2-12H,1H3,(H,25,30)(H,26,27,28,29).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).