N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide

C18H15N5O2 — CID 46613854

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCC(NC(=O)c1cccc(-n2cnnn2)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H15N5O2/c1-12(17-10-13-5-2-3-8-16(13)25-17)20-18(24)14-6-4-7-15(9-14)23-11-19-21-22-23/h2-12H,1H3,(H,20,24)
InChIKeyGEXSPDWENFWCNE-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.90
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 46613854) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID46613854
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCC(NC(=O)c1cccc(-n2cnnn2)c1)c1cc2ccccc2o1
InChIInChI=1S/C18H15N5O2/c1-12(17-10-13-5-2-3-8-16(13)25-17)20-18(24)14-6-4-7-15(9-14)23-11-19-21-22-23/h2-12H,1H3,(H,20,24)
InChIKeyGEXSPDWENFWCNE-UHFFFAOYSA-N
XLogP2.90
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 46613854) is N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide is CC(NC(=O)c1cccc(-n2cnnn2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is GEXSPDWENFWCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12(17-10-13-5-2-3-8-16(13)25-17)20-18(24)14-6-4-7-15(9-14)23-11-19-21-22-23/h2-12H,1H3,(H,20,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46613854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).