6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide

C21H20FN5O2 — CID 123145333

IUPAC6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide
SMILESNC(=O)CCCC(Cc1cc2ccccc2o1)c1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C21H20FN5O2/c22-18-9-8-15(21-24-26-27-25-21)12-17(18)13(5-3-7-20(23)28)10-16-11-14-4-1-2-6-19(14)29-16/h1-2,4,6,8-9,11-13H,3,5,7,10H2,(H2,23,28)(H,24,25,26,27)
InChIKeyKDWYBSGIIHWEFC-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.73
Rot. Bonds8

About 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide

6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide (PubChem CID 123145333) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide
PubChem CID123145333
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide
SMILESNC(=O)CCCC(Cc1cc2ccccc2o1)c1cc(-c2nn[nH]n2)ccc1F
InChIInChI=1S/C21H20FN5O2/c22-18-9-8-15(21-24-26-27-25-21)12-17(18)13(5-3-7-20(23)28)10-16-11-14-4-1-2-6-19(14)29-16/h1-2,4,6,8-9,11-13H,3,5,7,10H2,(H2,23,28)(H,24,25,26,27)
InChIKeyKDWYBSGIIHWEFC-UHFFFAOYSA-N
XLogP3.73
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide?
The IUPAC name of 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide (CID 123145333) is 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide?
The canonical SMILES for 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide is NC(=O)CCCC(Cc1cc2ccccc2o1)c1cc(-c2nn[nH]n2)ccc1F.
What is the InChIKey of 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide?
The InChIKey is KDWYBSGIIHWEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-18-9-8-15(21-24-26-27-25-21)12-17(18)13(5-3-7-20(23)28)10-16-11-14-4-1-2-6-19(14)29-16/h1-2,4,6,8-9,11-13H,3,5,7,10H2,(H2,23,28)(H,24,25,26,27).
What are the key properties of 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide?
6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide has a molecular weight of 393.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide is sourced from PubChem (CID 123145333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).