5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide

C20H12F2N2O2 — CID 75511227

IUPAC5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12
InChIInChI=1S/C20H12F2N2O2/c21-11-4-1-5-12(10-11)23-20(26)15-8-2-6-13-17(15)24-18-14(19(13)25)7-3-9-16(18)22/h1-10H,(H,23,26)(H,24,25)
InChIKeySDFNOBPEMDXDKS-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.21
Rot. Bonds2

About 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide

5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide (PubChem CID 75511227) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
PubChem CID75511227
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12
InChIInChI=1S/C20H12F2N2O2/c21-11-4-1-5-12(10-11)23-20(26)15-8-2-6-13-17(15)24-18-14(19(13)25)7-3-9-16(18)22/h1-10H,(H,23,26)(H,24,25)
InChIKeySDFNOBPEMDXDKS-UHFFFAOYSA-N
XLogP4.21
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.21
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

N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 167965304
2,5-difluoro-9-oxo-N-[3-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802674
2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802704
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 44523246
N-(3-fluorophenyl)-2-oxo-1,3-benzodioxole-4-carboxamide
CID 56970493
2,3-dichloro-N-(3-fluorophenyl)benzamide
CID 802685
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
2-fluoro-N-(3-fluorophenyl)-5-(hydroxyamino)benzamide
CID 163637360
5-fluoro-N-[4-(methanesulfonamido)cyclohexyl]-9-oxo-10H-acridine-4-carboxamide
CID 167935882
N-(3-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 139177364
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide (CID 75511227) is 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cccc2c(=O)c3cccc(F)c3[nH]c12.
What is the InChIKey of 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is SDFNOBPEMDXDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-11-4-1-5-12(10-11)23-20(26)15-8-2-6-13-17(15)24-18-14(19(13)25)7-3-9-16(18)22/h1-10H,(H,23,26)(H,24,25).
What are the key properties of 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide?
5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 350.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 75511227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).