N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide

C16H15N5O2 — CID 648414

IUPACN-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H15N5O2/c1-2-23-15-8-6-13(7-9-15)18-16(22)12-4-3-5-14(10-12)21-11-17-19-20-21/h3-11H,2H2,1H3,(H,18,22)
InChIKeyVVPJCJGCWALLMO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.31
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide

N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 648414) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID648414
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C16H15N5O2/c1-2-23-15-8-6-13(7-9-15)18-16(22)12-4-3-5-14(10-12)21-11-17-19-20-21/h3-11H,2H2,1H3,(H,18,22)
InChIKeyVVPJCJGCWALLMO-UHFFFAOYSA-N
XLogP2.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide (CID 648414) is N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide is CCOc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is VVPJCJGCWALLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-23-15-8-6-13(7-9-15)18-16(22)12-4-3-5-14(10-12)21-11-17-19-20-21/h3-11H,2H2,1H3,(H,18,22).
What are the key properties of N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide?
N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 648414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).