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

C20H24FN3O3 — CID 25014778

IUPAC1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C20H24FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h1-3,5-8,15H,4,9-14H2,(H2,22,23,25)
InChIKeyBGWPDCGJAOOMJL-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.57
Rot. Bonds7

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

1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea (PubChem CID 25014778) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea
PubChem CID25014778
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C20H24FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h1-3,5-8,15H,4,9-14H2,(H2,22,23,25)
InChIKeyBGWPDCGJAOOMJL-UHFFFAOYSA-N
XLogP3.57
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.57
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-phenylurea?
The IUPAC name of 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea (CID 25014778) is 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(F)c(OCCCN2CCOCC2)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
The InChIKey is BGWPDCGJAOOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-18-8-7-17(23-20(25)22-16-5-2-1-3-6-16)15-19(18)27-12-4-9-24-10-13-26-14-11-24/h1-3,5-8,15H,4,9-14H2,(H2,22,23,25).
What are the key properties of 1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea?
1-[4-fluoro-3-(3-morpholin-4-ylpropoxy)phenyl]-3-phenylurea has a molecular weight of 373.43 g/mol, XLogP of 3.57, 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-phenylurea is sourced from PubChem (CID 25014778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).