2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C23H29ClN4O2 — CID 9435125

IUPAC2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H29ClN4O2/c1-16-5-4-6-20(18(16)3)25-22(29)14-27-9-11-28(12-10-27)15-23(30)26-21-13-19(24)8-7-17(21)2/h4-8,13H,9-12,14-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyUYTMQGDQMBPODJ-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.46
Rot. Bonds6

About 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9435125) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9435125
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C23H29ClN4O2/c1-16-5-4-6-20(18(16)3)25-22(29)14-27-9-11-28(12-10-27)15-23(30)26-21-13-19(24)8-7-17(21)2/h4-8,13H,9-12,14-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyUYTMQGDQMBPODJ-UHFFFAOYSA-N
XLogP3.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)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

N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
N-(5-chloro-2-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266419
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086171
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469583
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113201524
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 17266977

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 9435125) is 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is UYTMQGDQMBPODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-16-5-4-6-20(18(16)3)25-22(29)14-27-9-11-28(12-10-27)15-23(30)26-21-13-19(24)8-7-17(21)2/h4-8,13H,9-12,14-15H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 428.96 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9435125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).