N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide

C22H27ClN4O2 — CID 42269066

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1C
InChIInChI=1S/C22H27ClN4O2/c1-16-4-3-5-20(17(16)2)25-22(29)21(28)24-10-11-26-12-14-27(15-13-26)19-8-6-18(23)7-9-19/h3-9H,10-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyQRILSZXWIPWFLV-UHFFFAOYSA-N
MW414.94 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide (PubChem CID 42269066) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide
PubChem CID42269066
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1C
InChIInChI=1S/C22H27ClN4O2/c1-16-4-3-5-20(17(16)2)25-22(29)21(28)24-10-11-26-12-14-27(15-13-26)19-8-6-18(23)7-9-19/h3-9H,10-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyQRILSZXWIPWFLV-UHFFFAOYSA-N
XLogP2.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
CID 22430377
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-(3-chloro-2-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]oxamide
CID 16891358
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 42269040
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide (CID 42269066) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1C.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide?
The InChIKey is QRILSZXWIPWFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-16-4-3-5-20(17(16)2)25-22(29)21(28)24-10-11-26-12-14-27(15-13-26)19-8-6-18(23)7-9-19/h3-9H,10-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide has a molecular weight of 414.94 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-(2,3-dimethylphenyl)oxamide is sourced from PubChem (CID 42269066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).