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

C17H13N5O2 — CID 648856

IUPAC3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12
InChIInChI=1S/C17H13N5O2/c1-11-14-4-2-3-5-15(14)24-16(11)17(23)19-12-6-8-13(9-7-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)
InChIKeyUFNWNQKMTUROKZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.97
Rot. Bonds3

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

3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 648856) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID648856
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12
InChIInChI=1S/C17H13N5O2/c1-11-14-4-2-3-5-15(14)24-16(11)17(23)19-12-6-8-13(9-7-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)
InChIKeyUFNWNQKMTUROKZ-UHFFFAOYSA-N
XLogP2.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 648856) is 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is UFNWNQKMTUROKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-11-14-4-2-3-5-15(14)24-16(11)17(23)19-12-6-8-13(9-7-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23).
What are the key properties of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 648856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).