3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide

C23H16ClN3O — CID 11234532

IUPAC3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C23H16ClN3O/c24-19-13-7-12-18(14-19)22(28)27-23-25-20(16-8-3-1-4-9-16)15-21(26-23)17-10-5-2-6-11-17/h1-15H,(H,25,26,27,28)
InChIKeyBYALFPUQWRIWML-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

About 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide

3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide (PubChem CID 11234532) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
PubChem CID11234532
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C23H16ClN3O/c24-19-13-7-12-18(14-19)22(28)27-23-25-20(16-8-3-1-4-9-16)15-21(26-23)17-10-5-2-6-11-17/h1-15H,(H,25,26,27,28)
InChIKeyBYALFPUQWRIWML-UHFFFAOYSA-N
XLogP5.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide (CID 11234532) is 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
The InChIKey is BYALFPUQWRIWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-19-13-7-12-18(14-19)22(28)27-23-25-20(16-8-3-1-4-9-16)15-21(26-23)17-10-5-2-6-11-17/h1-15H,(H,25,26,27,28).
What are the key properties of 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide?
3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide has a molecular weight of 385.85 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-diphenylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 11234532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).