N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide

C21H24Cl2N4O2 — CID 42389768

IUPACN'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N4O2/c22-16-2-6-18(7-3-16)25-21(29)20(28)24-10-1-11-26-12-14-27(15-13-26)19-8-4-17(23)5-9-19/h2-9H,1,10-15H2,(H,24,28)(H,25,29)
InChIKeyJWKCWWQMGBEJOO-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.26
Rot. Bonds6

About N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide

N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42389768) has the molecular formula C21H24Cl2N4O2 and a molecular weight of 435.36 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42389768
Molecular FormulaC21H24Cl2N4O2
Molecular Weight435.36 g/mol
Exact Mass434.13
IUPAC NameN'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H24Cl2N4O2/c22-16-2-6-18(7-3-16)25-21(29)20(28)24-10-1-11-26-12-14-27(15-13-26)19-8-4-17(23)5-9-19/h2-9H,1,10-15H2,(H,24,28)(H,25,29)
InChIKeyJWKCWWQMGBEJOO-UHFFFAOYSA-N
XLogP3.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
CID 42389794
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389792
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389939
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(4-methylphenyl)oxamide
CID 42390454
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
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'-(thiophen-2-ylmethyl)oxamide
CID 42389811
N'-(2-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide (CID 42389768) is N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide is O=C(NCCCN1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is JWKCWWQMGBEJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O2/c22-16-2-6-18(7-3-16)25-21(29)20(28)24-10-1-11-26-12-14-27(15-13-26)19-8-4-17(23)5-9-19/h2-9H,1,10-15H2,(H,24,28)(H,25,29).
What are the key properties of N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide?
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 435.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42389768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).