N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide

C14H18Cl2N4O2 — CID 108500963

IUPACN'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N4O2/c15-10-1-2-11(16)12(9-10)19-14(22)13(21)18-5-8-20-6-3-17-4-7-20/h1-2,9,17H,3-8H2,(H,18,21)(H,19,22)
InChIKeySGZWNGUKTZLTAU-UHFFFAOYSA-N
MW345.23 g/mol
LogP0.95
Rot. Bonds4

About N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide

N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108500963) has the molecular formula C14H18Cl2N4O2 and a molecular weight of 345.23 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108500963
Molecular FormulaC14H18Cl2N4O2
Molecular Weight345.23 g/mol
Exact Mass344.08
IUPAC NameN'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESO=C(NCCN1CCNCC1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N4O2/c15-10-1-2-11(16)12(9-10)19-14(22)13(21)18-5-8-20-6-3-17-4-7-20/h1-2,9,17H,3-8H2,(H,18,21)(H,19,22)
InChIKeySGZWNGUKTZLTAU-UHFFFAOYSA-N
XLogP0.95
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 50.95
H-Bond Donors ≤ 53
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
(Z)-2-cyano-3-(2,4-dichloroanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863687
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
2-(2,5-dichlorophenyl)sulfanyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119447334
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-piperazin-1-ylprop-2-enamide
CID 108825381
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
N'-(2-morpholin-4-ylphenyl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517876
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide (CID 108500963) is N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide is O=C(NCCN1CCNCC1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is SGZWNGUKTZLTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O2/c15-10-1-2-11(16)12(9-10)19-14(22)13(21)18-5-8-20-6-3-17-4-7-20/h1-2,9,17H,3-8H2,(H,18,21)(H,19,22).
What are the key properties of N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide?
N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 345.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108500963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).