1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea

C14H11FN2O3 — CID 5043693

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1F
InChIInChI=1S/C14H11FN2O3/c15-10-3-1-2-4-11(10)17-14(18)16-9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H2,16,17,18)
InChIKeyQGKAABVWTJHRGA-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.20
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea (PubChem CID 5043693) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea
PubChem CID5043693
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1F
InChIInChI=1S/C14H11FN2O3/c15-10-3-1-2-4-11(10)17-14(18)16-9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H2,16,17,18)
InChIKeyQGKAABVWTJHRGA-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea (CID 5043693) is 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea is O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1F.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea?
The InChIKey is QGKAABVWTJHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-10-3-1-2-4-11(10)17-14(18)16-9-5-6-12-13(7-9)20-8-19-12/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea has a molecular weight of 274.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 5043693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).