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

C23H16FN5O2 — CID 91148162

IUPAC2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESNC(=O)c1c(Cc2ccc(F)cc2)oc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc12
InChIInChI=1S/C23H16FN5O2/c24-17-7-4-13(5-8-17)10-20-21(22(25)30)18-12-15(6-9-19(18)31-20)14-2-1-3-16(11-14)23-26-28-29-27-23/h1-9,11-12H,10H2,(H2,25,30)(H,26,27,28,29)
InChIKeyHWUZIWQVDLGVIQ-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.11
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 91148162) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID91148162
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC Name2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESNC(=O)c1c(Cc2ccc(F)cc2)oc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc12
InChIInChI=1S/C23H16FN5O2/c24-17-7-4-13(5-8-17)10-20-21(22(25)30)18-12-15(6-9-19(18)31-20)14-2-1-3-16(11-14)23-26-28-29-27-23/h1-9,11-12H,10H2,(H2,25,30)(H,26,27,28,29)
InChIKeyHWUZIWQVDLGVIQ-UHFFFAOYSA-N
XLogP4.11
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[5-[2-fluoro-5-(trifluoromethoxy)phenyl]-1-benzofuran-2-yl]ethyl]-2H-tetrazole
CID 134145195
(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155529239
(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155538039
5-[2-[5-methyl-3-(trifluoromethyl)-1-benzofuran-2-yl]phenyl]-2H-tetrazole
CID 18950881
3-[(4-fluorophenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54281252
1-[2-(4-fluorophenyl)-5-[2-methyl-5-[2-[1-(2H-tetrazol-5-yl)cyclopropyl]acetyl]phenyl]-1-benzofuran-3-yl]propan-1-one
CID 58472517
2-(4-Fluorophenyl)-5-(3-(5-isopropyl-1,3,4-oxadiazol-2-yl)phenyl)-N-methylbenzofuran-3-carboxamide
CID 59275143
5-(5-(1-(1h-Tetrazol-5-yl)cyclopropylcarbamoyl)-2-methylphenyl)-2-(4-fluorophenyl)-n-methylbenzo furan-3-carboxamide
CID 59275216
5-(3-(1H-Tetrazol-5-yl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide
CID 59275417
2-(4-Fluorophenyl)-N-methyl-5-(3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)benzofuran-3-carboxamide
CID 59275675
5-(3-(2-Benzyl-2H-tetrazol-5-yl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide
CID 59275712
2-(4-Fluorophenyl)-5-(3-(2-isobutyl-2H-tetrazol-5-yl)phenyl)-N-methylbenzofuran-3-carboxamide
CID 59275726

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide (CID 91148162) is 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide is NC(=O)c1c(Cc2ccc(F)cc2)oc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is HWUZIWQVDLGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c24-17-7-4-13(5-8-17)10-20-21(22(25)30)18-12-15(6-9-19(18)31-20)14-2-1-3-16(11-14)23-26-28-29-27-23/h1-9,11-12H,10H2,(H2,25,30)(H,26,27,28,29).
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide?
2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 91148162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).