N-acridin-9-ylbenzamide

C20H14N2O — CID 40532924

IUPACN-acridin-9-ylbenzamide
SMILESO=C(Nc1c2ccccc2nc2ccccc12)c1ccccc1
InChIInChI=1S/C20H14N2O/c23-20(14-8-2-1-3-9-14)22-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,(H,21,22,23)
InChIKeyZXYQARLLWHRPJC-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.64
Rot. Bonds2

About N-acridin-9-ylbenzamide

N-acridin-9-ylbenzamide (PubChem CID 40532924) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-acridin-9-ylbenzamide.

Molecular Properties

Compound NameN-acridin-9-ylbenzamide
PubChem CID40532924
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC NameN-acridin-9-ylbenzamide
SMILESO=C(Nc1c2ccccc2nc2ccccc12)c1ccccc1
InChIInChI=1S/C20H14N2O/c23-20(14-8-2-1-3-9-14)22-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,(H,21,22,23)
InChIKeyZXYQARLLWHRPJC-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acridin-9-ylbenzamide?
The IUPAC name of N-acridin-9-ylbenzamide (CID 40532924) is N-acridin-9-ylbenzamide.
What is the SMILES notation for N-acridin-9-ylbenzamide?
The canonical SMILES for N-acridin-9-ylbenzamide is O=C(Nc1c2ccccc2nc2ccccc12)c1ccccc1.
What is the InChIKey of N-acridin-9-ylbenzamide?
The InChIKey is ZXYQARLLWHRPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c23-20(14-8-2-1-3-9-14)22-19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H,(H,21,22,23).
What are the key properties of N-acridin-9-ylbenzamide?
N-acridin-9-ylbenzamide has a molecular weight of 298.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-9-ylbenzamide is sourced from PubChem (CID 40532924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).