N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide

C21H24Cl2N4O2 — CID 42269096

IUPACN'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24Cl2N4O2/c1-15-2-3-17(23)14-19(15)25-21(29)20(28)24-8-9-26-10-12-27(13-11-26)18-6-4-16(22)5-7-18/h2-7,14H,8-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyOSLKCUFSRUMLDH-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.18
Rot. Bonds5

About N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42269096) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42269096
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24Cl2N4O2/c1-15-2-3-17(23)14-19(15)25-21(29)20(28)24-8-9-26-10-12-27(13-11-26)18-6-4-16(22)5-7-18/h2-7,14H,8-13H2,1H3,(H,24,28)(H,25,29)
InChIKeyOSLKCUFSRUMLDH-UHFFFAOYSA-N
XLogP3.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide 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-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 42269066
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-(3-chloro-4-methylphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268579
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
CID 1258258
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108500963
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 42269040

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide (CID 42269096) is N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is OSLKCUFSRUMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c1-15-2-3-17(23)14-19(15)25-21(29)20(28)24-8-9-26-10-12-27(13-11-26)18-6-4-16(22)5-7-18/h2-7,14H,8-13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 435.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42269096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).