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

C17H12FN5O2 — CID 17011813

IUPAC5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C17H12FN5O2/c1-10-14-8-11(18)2-7-15(14)25-16(10)17(24)20-12-3-5-13(6-4-12)23-9-19-21-22-23/h2-9H,1H3,(H,20,24)
InChIKeyIPKPWGRABHTZRE-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.11
Rot. Bonds3

About 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 17011813) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID17011813
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C17H12FN5O2/c1-10-14-8-11(18)2-7-15(14)25-16(10)17(24)20-12-3-5-13(6-4-12)23-9-19-21-22-23/h2-9H,1H3,(H,20,24)
InChIKeyIPKPWGRABHTZRE-UHFFFAOYSA-N
XLogP3.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.11
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
Furan-2-carboxylic acid (3-methyl-4-tetrazol-1-yl-phenyl)-amide
CID 858850
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-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 7999048
3-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 8752955
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 17011813) is 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is IPKPWGRABHTZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-10-14-8-11(18)2-7-15(14)25-16(10)17(24)20-12-3-5-13(6-4-12)23-9-19-21-22-23/h2-9H,1H3,(H,20,24).
What are the key properties of 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17011813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).