3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide

C18H15N5O — CID 135312174

IUPAC3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide
SMILESNC(=O)c1cccc(N2CNc3ncncc32)c1-c1ccccc1
InChIInChI=1S/C18H15N5O/c19-17(24)13-7-4-8-14(16(13)12-5-2-1-3-6-12)23-11-22-18-15(23)9-20-10-21-18/h1-10H,11H2,(H2,19,24)(H,20,21,22)
InChIKeyGXFONAZPNDRZQL-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.76
Rot. Bonds3

About 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide

3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide (PubChem CID 135312174) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide.

Molecular Properties

Compound Name3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide
PubChem CID135312174
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide
SMILESNC(=O)c1cccc(N2CNc3ncncc32)c1-c1ccccc1
InChIInChI=1S/C18H15N5O/c19-17(24)13-7-4-8-14(16(13)12-5-2-1-3-6-12)23-11-22-18-15(23)9-20-10-21-18/h1-10H,11H2,(H2,19,24)(H,20,21,22)
InChIKeyGXFONAZPNDRZQL-UHFFFAOYSA-N
XLogP2.76
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide?
The IUPAC name of 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide (CID 135312174) is 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide.
What is the SMILES notation for 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide?
The canonical SMILES for 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide is NC(=O)c1cccc(N2CNc3ncncc32)c1-c1ccccc1.
What is the InChIKey of 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide?
The InChIKey is GXFONAZPNDRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-17(24)13-7-4-8-14(16(13)12-5-2-1-3-6-12)23-11-22-18-15(23)9-20-10-21-18/h1-10H,11H2,(H2,19,24)(H,20,21,22).
What are the key properties of 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide?
3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide has a molecular weight of 317.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8,9-dihydropurin-7-yl)-2-phenylbenzamide is sourced from PubChem (CID 135312174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).