1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea

C20H23F2N3O3 — CID 25014525

IUPAC1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O3/c21-18-6-5-16(14-19(18)22)24-20(26)23-15-3-1-4-17(13-15)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13-14H,2,7-12H2,(H2,23,24,26)
InChIKeyYYQOFYVGNYFOQT-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.71
Rot. Bonds7

About 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea

1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 25014525) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID25014525
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESO=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O3/c21-18-6-5-16(14-19(18)22)24-20(26)23-15-3-1-4-17(13-15)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13-14H,2,7-12H2,(H2,23,24,26)
InChIKeyYYQOFYVGNYFOQT-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-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 25014525) is 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is O=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is YYQOFYVGNYFOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c21-18-6-5-16(14-19(18)22)24-20(26)23-15-3-1-4-17(13-15)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13-14H,2,7-12H2,(H2,23,24,26).
What are the key properties of 1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]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-(3,4-difluorophenyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 25014525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).