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

C17H11F2N5O2 — CID 18565776

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H11F2N5O2/c18-12-6-5-11(8-13(12)19)24-16(21-22-23-24)9-20-17(25)15-7-10-3-1-2-4-14(10)26-15/h1-8H,9H2,(H,20,25)
InChIKeyTYERNRNKQAJUMZ-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.62
Rot. Bonds4

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

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 18565776) has the molecular formula C17H11F2N5O2 and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID18565776
Molecular FormulaC17H11F2N5O2
Molecular Weight355.30 g/mol
Exact Mass355.09
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc2ccccc2o1
InChIInChI=1S/C17H11F2N5O2/c18-12-6-5-11(8-13(12)19)24-16(21-22-23-24)9-20-17(25)15-7-10-3-1-2-4-14(10)26-15/h1-8H,9H2,(H,20,25)
InChIKeyTYERNRNKQAJUMZ-UHFFFAOYSA-N
XLogP2.62
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide (CID 18565776) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is TYERNRNKQAJUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2/c18-12-6-5-11(8-13(12)19)24-16(21-22-23-24)9-20-17(25)15-7-10-3-1-2-4-14(10)26-15/h1-8H,9H2,(H,20,25).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18565776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).