3-phenyl-N-(7H-purin-6-yl)benzamide

C18H13N5O — CID 91669228

IUPAC3-phenyl-N-(7H-purin-6-yl)benzamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)
InChIKeyATPBILKKUGKQLK-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.27
Rot. Bonds3

About 3-phenyl-N-(7H-purin-6-yl)benzamide

3-phenyl-N-(7H-purin-6-yl)benzamide (PubChem CID 91669228) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-phenyl-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name3-phenyl-N-(7H-purin-6-yl)benzamide
PubChem CID91669228
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name3-phenyl-N-(7H-purin-6-yl)benzamide
SMILESO=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24)
InChIKeyATPBILKKUGKQLK-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 3-phenyl-N-(7H-purin-6-yl)benzamide (CID 91669228) is 3-phenyl-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 3-phenyl-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 3-phenyl-N-(7H-purin-6-yl)benzamide is O=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-(7H-purin-6-yl)benzamide?
The InChIKey is ATPBILKKUGKQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-18(23-17-15-16(20-10-19-15)21-11-22-17)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H2,19,20,21,22,23,24).
What are the key properties of 3-phenyl-N-(7H-purin-6-yl)benzamide?
3-phenyl-N-(7H-purin-6-yl)benzamide has a molecular weight of 315.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 91669228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).