N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide

C22H20FN5O2 — CID 22617792

IUPACN-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccc(F)cc3)ncc21)c1ccccc1
InChIInChI=1S/C22H20FN5O2/c1-3-27(17-7-5-4-6-8-17)19(29)14-28-18-13-24-20(15-9-11-16(23)12-10-15)25-21(18)26(2)22(28)30/h4-13H,3,14H2,1-2H3
InChIKeyYRJXASBDTLXBQA-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide

N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide (PubChem CID 22617792) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
PubChem CID22617792
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC NameN-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccc(F)cc3)ncc21)c1ccccc1
InChIInChI=1S/C22H20FN5O2/c1-3-27(17-7-5-4-6-8-17)19(29)14-28-18-13-24-20(15-9-11-16(23)12-10-15)25-21(18)26(2)22(28)30/h4-13H,3,14H2,1-2H3
InChIKeyYRJXASBDTLXBQA-UHFFFAOYSA-N
XLogP2.99
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide (CID 22617792) is N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide is CCN(C(=O)Cn1c(=O)n(C)c2nc(-c3ccc(F)cc3)ncc21)c1ccccc1.
What is the InChIKey of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
The InChIKey is YRJXASBDTLXBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-3-27(17-7-5-4-6-8-17)19(29)14-28-18-13-24-20(15-9-11-16(23)12-10-15)25-21(18)26(2)22(28)30/h4-13H,3,14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide?
N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide has a molecular weight of 405.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide is sourced from PubChem (CID 22617792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).