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

C16H11N5O2 — CID 7709970

IUPACN-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H11N5O2/c22-16(15-8-11-4-1-2-7-14(11)23-15)18-12-5-3-6-13(9-12)21-10-17-19-20-21/h1-10H,(H,18,22)
InChIKeyJAYFCSKXMMZWGC-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.66
Rot. Bonds3

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

N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 7709970) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID7709970
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H11N5O2/c22-16(15-8-11-4-1-2-7-14(11)23-15)18-12-5-3-6-13(9-12)21-10-17-19-20-21/h1-10H,(H,18,22)
InChIKeyJAYFCSKXMMZWGC-UHFFFAOYSA-N
XLogP2.66
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 649855
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-[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
N-[3-(1,2,4-triazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 20266539
3-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 8752955
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 7709970) is N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is JAYFCSKXMMZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c22-16(15-8-11-4-1-2-7-14(11)23-15)18-12-5-3-6-13(9-12)21-10-17-19-20-21/h1-10H,(H,18,22).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7709970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).