2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide

C21H11F5N2O2 — CID 86802704

IUPAC2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12
InChIInChI=1S/C21H11F5N2O2/c22-11-8-14-17(28-18-13(19(14)29)2-1-3-16(18)23)15(9-11)20(30)27-12-6-4-10(5-7-12)21(24,25)26/h1-9H,(H,27,30)(H,28,29)
InChIKeyGAOFCVIWLQJKQV-UHFFFAOYSA-N
MW418.32 g/mol
LogP5.23
Rot. Bonds2

About 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide

2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide (PubChem CID 86802704) has the molecular formula C21H11F5N2O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
PubChem CID86802704
Molecular FormulaC21H11F5N2O2
Molecular Weight418.32 g/mol
Exact Mass418.07
IUPAC Name2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12
InChIInChI=1S/C21H11F5N2O2/c22-11-8-14-17(28-18-13(19(14)29)2-1-3-16(18)23)15(9-11)20(30)27-12-6-4-10(5-7-12)21(24,25)26/h1-9H,(H,27,30)(H,28,29)
InChIKeyGAOFCVIWLQJKQV-UHFFFAOYSA-N
XLogP5.23
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.32
LogP ≤ 55.23
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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Related Compounds

2,5-difluoro-9-oxo-N-[3-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802674
5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
CID 75511227
N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 167965304
2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17391109
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 44523246
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
9-oxo-7-(trifluoromethyl)-10H-acridine-4-carboxylic acid
CID 10566636
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
2-fluoro-N-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]benzamide
CID 152665029
5-fluoro-3-methyl-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 113204635

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide?
The IUPAC name of 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide (CID 86802704) is 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide.
What is the SMILES notation for 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide?
The canonical SMILES for 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12.
What is the InChIKey of 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide?
The InChIKey is GAOFCVIWLQJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F5N2O2/c22-11-8-14-17(28-18-13(19(14)29)2-1-3-16(18)23)15(9-11)20(30)27-12-6-4-10(5-7-12)21(24,25)26/h1-9H,(H,27,30)(H,28,29).
What are the key properties of 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide?
2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide has a molecular weight of 418.32 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide is sourced from PubChem (CID 86802704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).