1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea

C25H24ClFN4O2 — CID 67164199

IUPAC1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H24ClFN4O2/c26-19-6-10-21(11-7-19)28-25(33)29-23(18-4-2-1-3-5-18)24(32)31-16-14-30(15-17-31)22-12-8-20(27)9-13-22/h1-13,23H,14-17H2,(H2,28,29,33)
InChIKeyPJYOTIORUIARDI-UHFFFAOYSA-N
MW466.94 g/mol
LogP4.69
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea

1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 67164199) has the molecular formula C25H24ClFN4O2 and a molecular weight of 466.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
PubChem CID67164199
Molecular FormulaC25H24ClFN4O2
Molecular Weight466.94 g/mol
Exact Mass466.16
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H24ClFN4O2/c26-19-6-10-21(11-7-19)28-25(33)29-23(18-4-2-1-3-5-18)24(32)31-16-14-30(15-17-31)22-12-8-20(27)9-13-22/h1-13,23H,14-17H2,(H2,28,29,33)
InChIKeyPJYOTIORUIARDI-UHFFFAOYSA-N
XLogP4.69
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea (CID 67164199) is 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea is O=C(Nc1ccc(Cl)cc1)NC(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is PJYOTIORUIARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O2/c26-19-6-10-21(11-7-19)28-25(33)29-23(18-4-2-1-3-5-18)24(32)31-16-14-30(15-17-31)22-12-8-20(27)9-13-22/h1-13,23H,14-17H2,(H2,28,29,33).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 466.94 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 67164199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).