N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide

C26H23FN4O — CID 72725628

IUPACN-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23FN4O/c1-16-5-4-6-17(2)23(16)30-25(32)20-9-13-22(14-10-20)29-26-28-15-18(3)24(31-26)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,30,32)(H,28,29,31)
InChIKeyXUEUXHGLEZXEKK-UHFFFAOYSA-N
MW426.50 g/mol
LogP6.20
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide

N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide (PubChem CID 72725628) has the molecular formula C26H23FN4O and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide
PubChem CID72725628
Molecular FormulaC26H23FN4O
Molecular Weight426.50 g/mol
Exact Mass426.19
IUPAC NameN-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H23FN4O/c1-16-5-4-6-17(2)23(16)30-25(32)20-9-13-22(14-10-20)29-26-28-15-18(3)24(31-26)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,30,32)(H,28,29,31)
InChIKeyXUEUXHGLEZXEKK-UHFFFAOYSA-N
XLogP6.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide (CID 72725628) is N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide?
The InChIKey is XUEUXHGLEZXEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O/c1-16-5-4-6-17(2)23(16)30-25(32)20-9-13-22(14-10-20)29-26-28-15-18(3)24(31-26)19-7-11-21(27)12-8-19/h4-15H,1-3H3,(H,30,32)(H,28,29,31).
What are the key properties of N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide?
N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide has a molecular weight of 426.50 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 72725628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).