N-phenazin-2-ylbenzamide

C19H13N3O — CID 5110696

IUPACN-phenazin-2-ylbenzamide
SMILESO=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
InChIInChI=1S/C19H13N3O/c23-19(13-6-2-1-3-7-13)20-14-10-11-17-18(12-14)22-16-9-5-4-8-15(16)21-17/h1-12H,(H,20,23)
InChIKeyXQYXDHAVRKKOHV-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.04
Rot. Bonds2

About N-phenazin-2-ylbenzamide

N-phenazin-2-ylbenzamide (PubChem CID 5110696) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is N-phenazin-2-ylbenzamide.

Molecular Properties

Compound NameN-phenazin-2-ylbenzamide
PubChem CID5110696
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC NameN-phenazin-2-ylbenzamide
SMILESO=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
InChIInChI=1S/C19H13N3O/c23-19(13-6-2-1-3-7-13)20-14-10-11-17-18(12-14)22-16-9-5-4-8-15(16)21-17/h1-12H,(H,20,23)
InChIKeyXQYXDHAVRKKOHV-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenazin-2-ylbenzamide?
The IUPAC name of N-phenazin-2-ylbenzamide (CID 5110696) is N-phenazin-2-ylbenzamide.
What is the SMILES notation for N-phenazin-2-ylbenzamide?
The canonical SMILES for N-phenazin-2-ylbenzamide is O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1.
What is the InChIKey of N-phenazin-2-ylbenzamide?
The InChIKey is XQYXDHAVRKKOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19(13-6-2-1-3-7-13)20-14-10-11-17-18(12-14)22-16-9-5-4-8-15(16)21-17/h1-12H,(H,20,23).
What are the key properties of N-phenazin-2-ylbenzamide?
N-phenazin-2-ylbenzamide has a molecular weight of 299.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenazin-2-ylbenzamide is sourced from PubChem (CID 5110696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).