N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide

C23H17FN2O2 — CID 167545651

IUPACN-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)c(F)c1
InChIInChI=1S/C23H17FN2O2/c1-14-7-8-20(19(24)10-14)26-23(28)17-5-2-4-15(11-17)18-12-16-6-3-9-25-22(16)21(27)13-18/h2-13,27H,1H3,(H,26,28)
InChIKeyZQCZJOYMQJNIGI-UHFFFAOYSA-N
MW372.40 g/mol
LogP5.31
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide

N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide (PubChem CID 167545651) has the molecular formula C23H17FN2O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide
PubChem CID167545651
Molecular FormulaC23H17FN2O2
Molecular Weight372.40 g/mol
Exact Mass372.13
IUPAC NameN-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)c(F)c1
InChIInChI=1S/C23H17FN2O2/c1-14-7-8-20(19(24)10-14)26-23(28)17-5-2-4-15(11-17)18-12-16-6-3-9-25-22(16)21(27)13-18/h2-13,27H,1H3,(H,26,28)
InChIKeyZQCZJOYMQJNIGI-UHFFFAOYSA-N
XLogP5.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide;N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide;3-(8-hydroxyquinolin-6-yl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]benzamide;3-(8-hydroxyquinolin-6-yl)-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 167545650
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18166253
3-(dimethylamino)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26522946
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
6-N-(2,4-dimethylphenyl)-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109100392
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
2-amino-6-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-carboxamide
CID 62151947

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide (CID 167545651) is N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide?
The InChIKey is ZQCZJOYMQJNIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2/c1-14-7-8-20(19(24)10-14)26-23(28)17-5-2-4-15(11-17)18-12-16-6-3-9-25-22(16)21(27)13-18/h2-13,27H,1H3,(H,26,28).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide?
N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide has a molecular weight of 372.40 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3-(8-hydroxyquinolin-6-yl)benzamide is sourced from PubChem (CID 167545651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).