N-ethoxy-4-(2H-tetrazol-5-yl)benzamide

C10H11N5O2 — CID 60717193

IUPACN-ethoxy-4-(2H-tetrazol-5-yl)benzamide
SMILESCCONC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H11N5O2/c1-2-17-13-10(16)8-5-3-7(4-6-8)9-11-14-15-12-9/h3-6H,2H2,1H3,(H,13,16)(H,11,12,14,15)
InChIKeyLHRGFFAWUBGBFO-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.55
Rot. Bonds4

About N-ethoxy-4-(2H-tetrazol-5-yl)benzamide

N-ethoxy-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 60717193) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is N-ethoxy-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-ethoxy-4-(2H-tetrazol-5-yl)benzamide
PubChem CID60717193
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC NameN-ethoxy-4-(2H-tetrazol-5-yl)benzamide
SMILESCCONC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H11N5O2/c1-2-17-13-10(16)8-5-3-7(4-6-8)9-11-14-15-12-9/h3-6H,2H2,1H3,(H,13,16)(H,11,12,14,15)
InChIKeyLHRGFFAWUBGBFO-UHFFFAOYSA-N
XLogP0.55
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
4-amino-N-ethoxybenzamide
CID 62058413
N-ethoxy-2H-benzotriazole-5-carboxamide
CID 47143794
pent-2-ynyl 4-(2H-tetrazol-5-yl)benzoate
CID 23541057
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 11372797
ethyl 2-[methyl-[2-[4-(2H-tetrazol-5-yl)phenoxy]acetyl]amino]acetate
CID 146146539

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-ethoxy-4-(2H-tetrazol-5-yl)benzamide (CID 60717193) is N-ethoxy-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-ethoxy-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-ethoxy-4-(2H-tetrazol-5-yl)benzamide is CCONC(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-ethoxy-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is LHRGFFAWUBGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-2-17-13-10(16)8-5-3-7(4-6-8)9-11-14-15-12-9/h3-6H,2H2,1H3,(H,13,16)(H,11,12,14,15).
What are the key properties of N-ethoxy-4-(2H-tetrazol-5-yl)benzamide?
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 233.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 60717193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).