1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea

C20H23FN2O3 — CID 86952371

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
SMILESO=C(NCCCOc1ccc(F)cc1)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H23FN2O3/c21-17-3-5-18(6-4-17)25-12-1-10-22-20(24)23-11-8-15-2-7-19-16(14-15)9-13-26-19/h2-7,14H,1,8-13H2,(H2,22,23,24)
InChIKeyCSMHUGJMRBAWSJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.07
Rot. Bonds8

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea (PubChem CID 86952371) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
PubChem CID86952371
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea
SMILESO=C(NCCCOc1ccc(F)cc1)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H23FN2O3/c21-17-3-5-18(6-4-17)25-12-1-10-22-20(24)23-11-8-15-2-7-19-16(14-15)9-13-26-19/h2-7,14H,1,8-13H2,(H2,22,23,24)
InChIKeyCSMHUGJMRBAWSJ-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(4-fluorophenoxy)propyl]urea
CID 60601729
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86952310
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110792411
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-phenoxyethyl)ethanamine
CID 65446343
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]guanidine;hydroiodide
CID 111985760
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 95935146
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea (CID 86952371) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea is O=C(NCCCOc1ccc(F)cc1)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea?
The InChIKey is CSMHUGJMRBAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-17-3-5-18(6-4-17)25-12-1-10-22-20(24)23-11-8-15-2-7-19-16(14-15)9-13-26-19/h2-7,14H,1,8-13H2,(H2,22,23,24).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea has a molecular weight of 358.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[3-(4-fluorophenoxy)propyl]urea is sourced from PubChem (CID 86952371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).