2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide

C23H16ClN3O — CID 56658189

IUPAC2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H16ClN3O/c24-20-9-5-4-8-19(20)23(28)27-18-12-10-17(11-13-18)22-14-21(25-15-26-22)16-6-2-1-3-7-16/h1-15H,(H,27,28)
InChIKeyMYHPWCWLENPWDT-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.72
Rot. Bonds4

About 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide

2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide (PubChem CID 56658189) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide
PubChem CID56658189
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H16ClN3O/c24-20-9-5-4-8-19(20)23(28)27-18-12-10-17(11-13-18)22-14-21(25-15-26-22)16-6-2-1-3-7-16/h1-15H,(H,27,28)
InChIKeyMYHPWCWLENPWDT-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 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide (CID 56658189) is 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide?
The InChIKey is MYHPWCWLENPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-20-9-5-4-8-19(20)23(28)27-18-12-10-17(11-13-18)22-14-21(25-15-26-22)16-6-2-1-3-7-16/h1-15H,(H,27,28).
What are the key properties of 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide?
2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]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 2-chloro-N-[4-(6-phenylpyrimidin-4-yl)phenyl]benzamide is sourced from PubChem (CID 56658189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).