N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide

C22H20ClN5O3 — CID 24569507

IUPACN-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
SMILESCn1c(=O)c2c(nc(Cl)n2CC(=O)N(Cc2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C22H20ClN5O3/c1-25-19-18(20(30)26(2)22(25)31)28(21(23)24-19)14-17(29)27(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyASVVLDVHMYLOFT-UHFFFAOYSA-N
MW437.89 g/mol
LogP2.32
Rot. Bonds5

About N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide

N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide (PubChem CID 24569507) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
PubChem CID24569507
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC NameN-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
SMILESCn1c(=O)c2c(nc(Cl)n2CC(=O)N(Cc2ccccc2)c2ccccc2)n(C)c1=O
InChIInChI=1S/C22H20ClN5O3/c1-25-19-18(20(30)26(2)22(25)31)28(21(23)24-19)14-17(29)27(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyASVVLDVHMYLOFT-UHFFFAOYSA-N
XLogP2.32
TPSA82.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenyl-N-propan-2-ylacetamide
CID 1497284
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 41221076
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8018077
N-(1,3-benzothiazol-2-yl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethylacetamide
CID 28562125
7-[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-8-chloro-1,3-dimethylpurine-2,6-dione
CID 30301392
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
8-chloro-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione
CID 3423196
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8870981
ethyl 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
CID 703754
8-chloro-7-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 24665435
8-[benzyl(methyl)amino]-1,3-dimethyl-7-phenacylpurine-2,6-dione
CID 4594431
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 8017988

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide (CID 24569507) is N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide is Cn1c(=O)c2c(nc(Cl)n2CC(=O)N(Cc2ccccc2)c2ccccc2)n(C)c1=O.
What is the InChIKey of N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
The InChIKey is ASVVLDVHMYLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-25-19-18(20(30)26(2)22(25)31)28(21(23)24-19)14-17(29)27(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3.
What are the key properties of N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide?
N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide has a molecular weight of 437.89 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide is sourced from PubChem (CID 24569507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).