1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea

C14H11FN2O3 — CID 3704231

IUPAC1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H11FN2O3/c15-9-1-3-10(4-2-9)16-14(18)17-11-5-6-12-13(7-11)20-8-19-12/h1-7H,8H2,(H2,16,17,18)
InChIKeyJEPPSPJZVSRPFU-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.20
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea

1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea (PubChem CID 3704231) 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-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea
PubChem CID3704231
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H11FN2O3/c15-9-1-3-10(4-2-9)16-14(18)17-11-5-6-12-13(7-11)20-8-19-12/h1-7H,8H2,(H2,16,17,18)
InChIKeyJEPPSPJZVSRPFU-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-(4-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

Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
CID 735851
N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
(1,3-Dioxaindan-5-yl)thiourea
CID 1471599
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
1,3-Benzodioxol-5-amine, N-ethyl-
CID 118365
N-(benzo[d][1,3]dioxol-5-yl)benzene-1,2-diamine
CID 12445399
1-(1,3-Benzodioxol-5-yl)-3-[4-(difluoromethoxy)-2-methylphenyl]urea
CID 969913
1-(1,3-Benzodioxol-5-yl)-3-(2-ethoxyphenyl)urea
CID 970394
1-(1,3-Benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
CID 2554270
1-(1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)urea
CID 4195203
1-(1,3-Benzodioxol-5-yl)-3-(2-fluorophenyl)urea
CID 5043693
1-(1,3-Benzodioxol-5-yl)-3-(3-fluoro-4-methylphenyl)urea
CID 6467995

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea (CID 3704231) is 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea?
The InChIKey is JEPPSPJZVSRPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-9-1-3-10(4-2-9)16-14(18)17-11-5-6-12-13(7-11)20-8-19-12/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(4-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-(4-fluorophenyl)urea is sourced from PubChem (CID 3704231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).