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

C23H26Cl2N4O3 — CID 2925185

IUPACN-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C
InChIInChI=1S/C23H26Cl2N4O3/c1-15-3-5-18(13-16(15)2)27-22(31)21(30)26-7-8-28-9-11-29(12-10-28)23(32)19-6-4-17(24)14-20(19)25/h3-6,13-14H,7-12H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyCXVNUMMPRIIRGH-UHFFFAOYSA-N
MW477.39 g/mol
LogP3.12
Rot. Bonds5

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

N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide (PubChem CID 2925185) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide
PubChem CID2925185
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC NameN-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C
InChIInChI=1S/C23H26Cl2N4O3/c1-15-3-5-18(13-16(15)2)27-22(31)21(30)26-7-8-28-9-11-29(12-10-28)23(32)19-6-4-17(24)14-20(19)25/h3-6,13-14H,7-12H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyCXVNUMMPRIIRGH-UHFFFAOYSA-N
XLogP3.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide (CID 2925185) is N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C.
What is the InChIKey of N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide?
The InChIKey is CXVNUMMPRIIRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O3/c1-15-3-5-18(13-16(15)2)27-22(31)21(30)26-7-8-28-9-11-29(12-10-28)23(32)19-6-4-17(24)14-20(19)25/h3-6,13-14H,7-12H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide?
N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide has a molecular weight of 477.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N'-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 2925185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).