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

C21H24ClFN4O2 — CID 42389939

IUPACN'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN4O2/c22-16-6-8-17(9-7-16)25-21(29)20(28)24-10-3-11-26-12-14-27(15-13-26)19-5-2-1-4-18(19)23/h1-2,4-9H,3,10-15H2,(H,24,28)(H,25,29)
InChIKeyPCFRWLQMFPVRLR-UHFFFAOYSA-N
MW418.90 g/mol
LogP2.75
Rot. Bonds6

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

N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide (PubChem CID 42389939) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
PubChem CID42389939
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC NameN'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClFN4O2/c22-16-6-8-17(9-7-16)25-21(29)20(28)24-10-3-11-26-12-14-27(15-13-26)19-5-2-1-4-18(19)23/h1-2,4-9H,3,10-15H2,(H,24,28)(H,25,29)
InChIKeyPCFRWLQMFPVRLR-UHFFFAOYSA-N
XLogP2.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.75
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'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269136
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-(3-nitrophenyl)oxamide
CID 42390084
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389821
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide (CID 42389939) is N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
The InChIKey is PCFRWLQMFPVRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c22-16-6-8-17(9-7-16)25-21(29)20(28)24-10-3-11-26-12-14-27(15-13-26)19-5-2-1-4-18(19)23/h1-2,4-9H,3,10-15H2,(H,24,28)(H,25,29).
What are the key properties of N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide?
N'-(4-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide has a molecular weight of 418.90 g/mol, XLogP of 2.75, 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-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide is sourced from PubChem (CID 42389939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).