3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide

C20H14N6O3 — CID 134129908

IUPAC3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N6O3/c27-20(14-7-6-10-16(13-14)26(28)29)21-18-12-5-4-11-17(18)19-22-24-25(23-19)15-8-2-1-3-9-15/h1-13H,(H,21,27)
InChIKeyIEIQBMNYLHNEDD-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.49
Rot. Bonds5

About 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide

3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide (PubChem CID 134129908) has the molecular formula C20H14N6O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
PubChem CID134129908
Molecular FormulaC20H14N6O3
Molecular Weight386.37 g/mol
Exact Mass386.11
IUPAC Name3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H14N6O3/c27-20(14-7-6-10-16(13-14)26(28)29)21-18-12-5-4-11-17(18)19-22-24-25(23-19)15-8-2-1-3-9-15/h1-13H,(H,21,27)
InChIKeyIEIQBMNYLHNEDD-UHFFFAOYSA-N
XLogP3.49
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide (CID 134129908) is 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The InChIKey is IEIQBMNYLHNEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O3/c27-20(14-7-6-10-16(13-14)26(28)29)21-18-12-5-4-11-17(18)19-22-24-25(23-19)15-8-2-1-3-9-15/h1-13H,(H,21,27).
What are the key properties of 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 134129908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).