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

C18H15N5O2 — CID 647922

IUPAC3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1
InChIInChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24)
InChIKeyOQEIIJDZEXQXIZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.28
Rot. Bonds3

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

3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 647922) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID647922
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1
InChIInChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24)
InChIKeyOQEIIJDZEXQXIZ-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 647922) is 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1.
What is the InChIKey of 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is OQEIIJDZEXQXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24).
What are the key properties of 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 647922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).