3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

C12H10N6O3 — CID 70353158

IUPAC3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCC(=O)Nc1oc(C(=O)Nc2nn[nH]n2)c2ccccc12
InChIInChI=1S/C12H10N6O3/c1-6(19)13-11-8-5-3-2-4-7(8)9(21-11)10(20)14-12-15-17-18-16-12/h2-5H,1H3,(H,13,19)(H2,14,15,16,17,18,20)
InChIKeyVTDIGUAOJUUFDA-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.16
Rot. Bonds3

About 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (PubChem CID 70353158) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
PubChem CID70353158
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCC(=O)Nc1oc(C(=O)Nc2nn[nH]n2)c2ccccc12
InChIInChI=1S/C12H10N6O3/c1-6(19)13-11-8-5-3-2-4-7(8)9(21-11)10(20)14-12-15-17-18-16-12/h2-5H,1H3,(H,13,19)(H2,14,15,16,17,18,20)
InChIKeyVTDIGUAOJUUFDA-UHFFFAOYSA-N
XLogP1.16
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The IUPAC name of 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (CID 70353158) is 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is CC(=O)Nc1oc(C(=O)Nc2nn[nH]n2)c2ccccc12.
What is the InChIKey of 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The InChIKey is VTDIGUAOJUUFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c1-6(19)13-11-8-5-3-2-4-7(8)9(21-11)10(20)14-12-15-17-18-16-12/h2-5H,1H3,(H,13,19)(H2,14,15,16,17,18,20).
What are the key properties of 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 70353158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).