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

C20H24ClFN4O — CID 15989708

IUPAC1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H24ClFN4O/c21-18-4-1-2-5-19(18)24-20(27)23-10-3-11-25-12-14-26(15-13-25)17-8-6-16(22)7-9-17/h1-2,4-9H,3,10-15H2,(H2,23,24,27)
InChIKeyCQNXVWIPTIHWMO-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.81
Rot. Bonds6

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

1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea (PubChem CID 15989708) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea
PubChem CID15989708
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea
SMILESO=C(NCCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C20H24ClFN4O/c21-18-4-1-2-5-19(18)24-20(27)23-10-3-11-25-12-14-26(15-13-25)17-8-6-16(22)7-9-17/h1-2,4-9H,3,10-15H2,(H2,23,24,27)
InChIKeyCQNXVWIPTIHWMO-UHFFFAOYSA-N
XLogP3.81
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea (CID 15989708) is 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea is O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea?
The InChIKey is CQNXVWIPTIHWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c21-18-4-1-2-5-19(18)24-20(27)23-10-3-11-25-12-14-26(15-13-25)17-8-6-16(22)7-9-17/h1-2,4-9H,3,10-15H2,(H2,23,24,27).
What are the key properties of 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea?
1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea has a molecular weight of 390.89 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]urea is sourced from PubChem (CID 15989708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).