7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide

C21H15FN2O2 — CID 75511213

IUPAC7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1)c1ccccc1
InChIInChI=1S/C21H15FN2O2/c1-24(15-5-3-2-4-6-15)21(26)13-7-9-18-16(11-13)20(25)17-12-14(22)8-10-19(17)23-18/h2-12H,1H3,(H,23,25)
InChIKeyIMVWWQIUHJVECT-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.10
Rot. Bonds2

About 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide

7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide (PubChem CID 75511213) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
PubChem CID75511213
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
SMILESCN(C(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1)c1ccccc1
InChIInChI=1S/C21H15FN2O2/c1-24(15-5-3-2-4-6-15)21(26)13-7-9-18-16(11-13)20(25)17-12-14(22)8-10-19(17)23-18/h2-12H,1H3,(H,23,25)
InChIKeyIMVWWQIUHJVECT-UHFFFAOYSA-N
XLogP4.10
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
CID 75478956
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide
CID 86802615
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
3,4-dihydroxy-N-methyl-N-phenylbenzamide
CID 113199261
2-(5-fluoro-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 110700278
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673
N-(4-fluorophenyl)-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 71938315
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
CID 110700546

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide?
The IUPAC name of 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide (CID 75511213) is 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide?
The canonical SMILES for 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide is CN(C(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1)c1ccccc1.
What is the InChIKey of 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide?
The InChIKey is IMVWWQIUHJVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-24(15-5-3-2-4-6-15)21(26)13-7-9-18-16(11-13)20(25)17-12-14(22)8-10-19(17)23-18/h2-12H,1H3,(H,23,25).
What are the key properties of 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide?
7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide is sourced from PubChem (CID 75511213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).