3-phenoxy-N-(2H-tetrazol-5-yl)benzamide

C14H11N5O2 — CID 2352157

IUPAC3-phenoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11N5O2/c20-13(15-14-16-18-19-17-14)10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17,18,19,20)
InChIKeyWJQACQBXPHNBMV-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.24
Rot. Bonds4

About 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide

3-phenoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 2352157) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID2352157
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC Name3-phenoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11N5O2/c20-13(15-14-16-18-19-17-14)10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17,18,19,20)
InChIKeyWJQACQBXPHNBMV-UHFFFAOYSA-N
XLogP2.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide (CID 2352157) is 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is WJQACQBXPHNBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c20-13(15-14-16-18-19-17-14)10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9H,(H2,15,16,17,18,19,20).
What are the key properties of 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide?
3-phenoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 281.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 2352157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).