1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea

C20H25FN4O — CID 108902143

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccc(NC(=O)NCCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H25FN4O/c1-24-12-14-25(15-13-24)19-8-6-18(7-9-19)23-20(26)22-11-10-16-2-4-17(21)5-3-16/h2-9H,10-15H2,1H3,(H2,22,23,26)
InChIKeyXGZFCZYIDMWIES-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.94
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea

1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 108902143) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID108902143
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCN1CCN(c2ccc(NC(=O)NCCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H25FN4O/c1-24-12-14-25(15-13-24)19-8-6-18(7-9-19)23-20(26)22-11-10-16-2-4-17(21)5-3-16/h2-9H,10-15H2,1H3,(H2,22,23,26)
InChIKeyXGZFCZYIDMWIES-UHFFFAOYSA-N
XLogP2.94
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108948472
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-oxobutyl)urea
CID 108895148
1-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108899107
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879544
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]cyclopropanecarboxamide
CID 16889244
1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea (CID 108902143) is 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea is CN1CCN(c2ccc(NC(=O)NCCc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is XGZFCZYIDMWIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-24-12-14-25(15-13-24)19-8-6-18(7-9-19)23-20(26)22-11-10-16-2-4-17(21)5-3-16/h2-9H,10-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea?
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 356.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 108902143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).