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

C17H13N5O2 — CID 8752955

IUPAC3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12
InChIInChI=1S/C17H13N5O2/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)
InChIKeyGEZPWOZMOXKRRT-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.97
Rot. Bonds3

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

3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 8752955) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID8752955
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12
InChIInChI=1S/C17H13N5O2/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)
InChIKeyGEZPWOZMOXKRRT-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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Related Compounds

3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 648856
3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 647922
1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 45230525
N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 7709970
N-[2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2555282
5-(2-chlorophenyl)-N-[3-(1H-tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 8073833
3-(methoxymethyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 16258475
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzofuran-2-carboxamide
CID 16799307
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 18565776
N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzofuran-2-carboxamide
CID 41567983
N-[1-(1-benzofuran-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 46613854
3,5-dimethyl-N-[4-(1H-tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 17015066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 8752955) is 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GEZPWOZMOXKRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23).
What are the key properties of 3-methyl-N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[3-(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-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8752955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).