1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea

C20H23F2N3O3 — CID 25015204

IUPAC1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C20H23F2N3O3/c21-15-2-4-16(5-3-15)23-20(26)24-17-6-7-18(22)19(14-17)28-11-1-8-25-9-12-27-13-10-25/h2-7,14H,1,8-13H2,(H2,23,24,26)
InChIKeyUTPHYUYBOINHSB-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.71
Rot. Bonds7

About 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea

1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea (PubChem CID 25015204) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea
PubChem CID25015204
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C20H23F2N3O3/c21-15-2-4-16(5-3-15)23-20(26)24-17-6-7-18(22)19(14-17)28-11-1-8-25-9-12-27-13-10-25/h2-7,14H,1,8-13H2,(H2,23,24,26)
InChIKeyUTPHYUYBOINHSB-UHFFFAOYSA-N
XLogP3.71
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea (CID 25015204) is 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is UTPHYUYBOINHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c21-15-2-4-16(5-3-15)23-20(26)24-17-6-7-18(22)19(14-17)28-11-1-8-25-9-12-27-13-10-25/h2-7,14H,1,8-13H2,(H2,23,24,26).
What are the key properties of 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea?
1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 391.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 25015204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).