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

C20H14N6O3 — CID 134129976

IUPAC2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N6O3/c27-20(16-11-5-7-13-18(16)26(28)29)21-17-12-6-4-10-15(17)19-22-24-25(23-19)14-8-2-1-3-9-14/h1-13H,(H,21,27)
InChIKeyWWNGBNTXFPMNQC-UHFFFAOYSA-N
MW386.37 g/mol
LogP3.49
Rot. Bonds5

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

2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide (PubChem CID 134129976) has the molecular formula C20H14N6O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
PubChem CID134129976
Molecular FormulaC20H14N6O3
Molecular Weight386.37 g/mol
Exact Mass386.11
IUPAC Name2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N6O3/c27-20(16-11-5-7-13-18(16)26(28)29)21-17-12-6-4-10-15(17)19-22-24-25(23-19)14-8-2-1-3-9-14/h1-13H,(H,21,27)
InChIKeyWWNGBNTXFPMNQC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide (CID 134129976) is 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
The InChIKey is WWNGBNTXFPMNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O3/c27-20(16-11-5-7-13-18(16)26(28)29)21-17-12-6-4-10-15(17)19-22-24-25(23-19)14-8-2-1-3-9-14/h1-13H,(H,21,27).
What are the key properties of 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide?
2-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 2-nitro-N-[2-(2-phenyltetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 134129976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).