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

C20H22ClFN4O2 — CID 42269136

IUPACN'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN4O2/c21-15-4-3-5-16(14-15)24-20(28)19(27)23-8-9-25-10-12-26(13-11-25)18-7-2-1-6-17(18)22/h1-7,14H,8-13H2,(H,23,27)(H,24,28)
InChIKeyHPUOFRCKVIEQDM-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.36
Rot. Bonds5

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

N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide (PubChem CID 42269136) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
PubChem CID42269136
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC NameN'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
SMILESO=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN4O2/c21-15-4-3-5-16(14-15)24-20(28)19(27)23-8-9-25-10-12-26(13-11-25)18-7-2-1-6-17(18)22/h1-7,14H,8-13H2,(H,23,27)(H,24,28)
InChIKeyHPUOFRCKVIEQDM-UHFFFAOYSA-N
XLogP2.36
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.36
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-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-(3-nitrophenyl)oxamide
CID 42390084
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269158
N'-(3-acetamidophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268937
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 42268814
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 7027960

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide (CID 42269136) is N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide is O=C(NCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
The InChIKey is HPUOFRCKVIEQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-15-4-3-5-16(14-15)24-20(28)19(27)23-8-9-25-10-12-26(13-11-25)18-7-2-1-6-17(18)22/h1-7,14H,8-13H2,(H,23,27)(H,24,28).
What are the key properties of N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide?
N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide has a molecular weight of 404.87 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide is sourced from PubChem (CID 42269136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).