N-(6-benzamidoacridin-3-yl)benzamide

C27H19N3O2 — CID 4153156

IUPACN-(6-benzamidoacridin-3-yl)benzamide
SMILESO=C(Nc1ccc2cc3ccc(NC(=O)c4ccccc4)cc3nc2c1)c1ccccc1
InChIInChI=1S/C27H19N3O2/c31-26(18-7-3-1-4-8-18)28-22-13-11-20-15-21-12-14-23(17-25(21)30-24(20)16-22)29-27(32)19-9-5-2-6-10-19/h1-17H,(H,28,31)(H,29,32)
InChIKeyRBFKXDHQBVIKSO-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.89
Rot. Bonds4

About N-(6-benzamidoacridin-3-yl)benzamide

N-(6-benzamidoacridin-3-yl)benzamide (PubChem CID 4153156) has the molecular formula C27H19N3O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(6-benzamidoacridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-benzamidoacridin-3-yl)benzamide
PubChem CID4153156
Molecular FormulaC27H19N3O2
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC NameN-(6-benzamidoacridin-3-yl)benzamide
SMILESO=C(Nc1ccc2cc3ccc(NC(=O)c4ccccc4)cc3nc2c1)c1ccccc1
InChIInChI=1S/C27H19N3O2/c31-26(18-7-3-1-4-8-18)28-22-13-11-20-15-21-12-14-23(17-25(21)30-24(20)16-22)29-27(32)19-9-5-2-6-10-19/h1-17H,(H,28,31)(H,29,32)
InChIKeyRBFKXDHQBVIKSO-UHFFFAOYSA-N
XLogP5.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.89
H-Bond Donors ≤ 52
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-(6-benzamidoacridin-3-yl)benzamide?
The IUPAC name of N-(6-benzamidoacridin-3-yl)benzamide (CID 4153156) is N-(6-benzamidoacridin-3-yl)benzamide.
What is the SMILES notation for N-(6-benzamidoacridin-3-yl)benzamide?
The canonical SMILES for N-(6-benzamidoacridin-3-yl)benzamide is O=C(Nc1ccc2cc3ccc(NC(=O)c4ccccc4)cc3nc2c1)c1ccccc1.
What is the InChIKey of N-(6-benzamidoacridin-3-yl)benzamide?
The InChIKey is RBFKXDHQBVIKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2/c31-26(18-7-3-1-4-8-18)28-22-13-11-20-15-21-12-14-23(17-25(21)30-24(20)16-22)29-27(32)19-9-5-2-6-10-19/h1-17H,(H,28,31)(H,29,32).
What are the key properties of N-(6-benzamidoacridin-3-yl)benzamide?
N-(6-benzamidoacridin-3-yl)benzamide has a molecular weight of 417.47 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzamidoacridin-3-yl)benzamide is sourced from PubChem (CID 4153156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).