2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide

C20H15Cl2N5O3 — CID 156714338

IUPAC2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide
SMILESCn1c(=O)n(CC(N)=O)c(=O)c2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N5O3/c1-25-18-16(19(29)26(20(25)30)10-15(23)28)27(12-8-6-11(21)7-9-12)17(24-18)13-4-2-3-5-14(13)22/h2-9H,10H2,1H3,(H2,23,28)
InChIKeyYSTCIDIYNMIKPN-UHFFFAOYSA-N
MW444.28 g/mol
LogP2.35
Rot. Bonds4

About 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide

2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide (PubChem CID 156714338) has the molecular formula C20H15Cl2N5O3 and a molecular weight of 444.28 g/mol. Its IUPAC name is 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide.

Molecular Properties

Compound Name2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide
PubChem CID156714338
Molecular FormulaC20H15Cl2N5O3
Molecular Weight444.28 g/mol
Exact Mass443.06
IUPAC Name2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide
SMILESCn1c(=O)n(CC(N)=O)c(=O)c2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N5O3/c1-25-18-16(19(29)26(20(25)30)10-15(23)28)27(12-8-6-11(21)7-9-12)17(24-18)13-4-2-3-5-14(13)22/h2-9H,10H2,1H3,(H2,23,28)
InChIKeyYSTCIDIYNMIKPN-UHFFFAOYSA-N
XLogP2.35
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
CID 6484601
2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetamide
CID 22029432
(2S)-2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-cyclohexyloxy-2,6-dioxopurin-1-yl]propanamide
CID 175257142
7-benzyl-8-(2-chlorophenyl)-3-methyl-1-propylpurine-2,6-dione
CID 144789166
6-(4-chlorophenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 4887538
8-(2-chlorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 158307494
2-[[5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3682871
2-[9-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
CID 3162547
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
CID 3162475
2-[6-(4-chlorophenyl)-4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-2-yl]acetic acid
CID 6485048
[8-(2-chlorophenyl)-7-(4-chlorophenyl)-2,6-dioxopurin-3-yl] thiohypofluorite
CID 156714328

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide?
The IUPAC name of 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide (CID 156714338) is 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide.
What is the SMILES notation for 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide?
The canonical SMILES for 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide is Cn1c(=O)n(CC(N)=O)c(=O)c2c1nc(-c1ccccc1Cl)n2-c1ccc(Cl)cc1.
What is the InChIKey of 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide?
The InChIKey is YSTCIDIYNMIKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3/c1-25-18-16(19(29)26(20(25)30)10-15(23)28)27(12-8-6-11(21)7-9-12)17(24-18)13-4-2-3-5-14(13)22/h2-9H,10H2,1H3,(H2,23,28).
What are the key properties of 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide?
2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide has a molecular weight of 444.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-2,6-dioxopurin-1-yl]acetamide is sourced from PubChem (CID 156714338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).