N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide

C22H16FN3O2 — CID 23658846

IUPACN-(6-acetamidoacridin-3-yl)-4-fluorobenzamide
SMILESCC(=O)Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1
InChIInChI=1S/C22H16FN3O2/c1-13(27)24-18-8-4-15-10-16-5-9-19(12-21(16)26-20(15)11-18)25-22(28)14-2-6-17(23)7-3-14/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyBESGXAMHVABUSC-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.74
Rot. Bonds3

About N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide

N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide (PubChem CID 23658846) has the molecular formula C22H16FN3O2 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-acetamidoacridin-3-yl)-4-fluorobenzamide
PubChem CID23658846
Molecular FormulaC22H16FN3O2
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC NameN-(6-acetamidoacridin-3-yl)-4-fluorobenzamide
SMILESCC(=O)Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1
InChIInChI=1S/C22H16FN3O2/c1-13(27)24-18-8-4-15-10-16-5-9-19(12-21(16)26-20(15)11-18)25-22(28)14-2-6-17(23)7-3-14/h2-12H,1H3,(H,24,27)(H,25,28)
InChIKeyBESGXAMHVABUSC-UHFFFAOYSA-N
XLogP4.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.74
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-acetamidoacridin-3-yl)-4-fluorobenzamide?
The IUPAC name of N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide (CID 23658846) is N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide is CC(=O)Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1.
What is the InChIKey of N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide?
The InChIKey is BESGXAMHVABUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O2/c1-13(27)24-18-8-4-15-10-16-5-9-19(12-21(16)26-20(15)11-18)25-22(28)14-2-6-17(23)7-3-14/h2-12H,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide?
N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide has a molecular weight of 373.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamidoacridin-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 23658846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).