2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide

C23H19FN2O2 — CID 16748021

IUPAC2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-23(2,14-8-4-3-5-9-14)26-22(28)16-13-20-17(12-18(16)24)21(27)15-10-6-7-11-19(15)25-20/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyMOUJVNGXLZSTGQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.49
Rot. Bonds3

About 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide

2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide (PubChem CID 16748021) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide
PubChem CID16748021
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1
InChIInChI=1S/C23H19FN2O2/c1-23(2,14-8-4-3-5-9-14)26-22(28)16-13-20-17(12-18(16)24)21(27)15-10-6-7-11-19(15)25-20/h3-13H,1-2H3,(H,25,27)(H,26,28)
InChIKeyMOUJVNGXLZSTGQ-UHFFFAOYSA-N
XLogP4.49
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide (CID 16748021) is 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1.
What is the InChIKey of 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
The InChIKey is MOUJVNGXLZSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-23(2,14-8-4-3-5-9-14)26-22(28)16-13-20-17(12-18(16)24)21(27)15-10-6-7-11-19(15)25-20/h3-13H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide?
2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).