N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide

C24H18FN3O2 — CID 46388896

IUPACN-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C24H18FN3O2/c1-16-4-2-3-5-22(16)18-14-26-24(27-15-18)30-21-12-6-17(7-13-21)23(29)28-20-10-8-19(25)9-11-20/h2-15H,1H3,(H,28,29)
InChIKeyRABYBZLIGALDBC-UHFFFAOYSA-N
MW399.43 g/mol
LogP5.64
Rot. Bonds5

About N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide

N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide (PubChem CID 46388896) has the molecular formula C24H18FN3O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
PubChem CID46388896
Molecular FormulaC24H18FN3O2
Molecular Weight399.43 g/mol
Exact Mass399.14
IUPAC NameN-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
SMILESCc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1
InChIInChI=1S/C24H18FN3O2/c1-16-4-2-3-5-22(16)18-14-26-24(27-15-18)30-21-12-6-17(7-13-21)23(29)28-20-10-8-19(25)9-11-20/h2-15H,1H3,(H,28,29)
InChIKeyRABYBZLIGALDBC-UHFFFAOYSA-N
XLogP5.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-[(1S)-1-(4-methylphenyl)ethyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 92883150
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
N-[(2-chlorophenyl)methyl]-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388913
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
N-(2-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388945
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
N-[4-[3-ethoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-4-fluorobenzamide
CID 1029250
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide (CID 46388896) is N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide is Cc1ccccc1-c1cnc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)nc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
The InChIKey is RABYBZLIGALDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2/c1-16-4-2-3-5-22(16)18-14-26-24(27-15-18)30-21-12-6-17(7-13-21)23(29)28-20-10-8-19(25)9-11-20/h2-15H,1H3,(H,28,29).
What are the key properties of N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide?
N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide has a molecular weight of 399.43 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[5-(2-methylphenyl)pyrimidin-2-yl]oxybenzamide is sourced from PubChem (CID 46388896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).