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

C20H16N2O4 — CID 17298589

IUPAC1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-20(21-14-10-11-18-19(12-14)25-13-24-18)22-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-12H,13H2,(H2,21,22,23)
InChIKeyBZGJNRHVFBHPAT-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.85
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea (PubChem CID 17298589) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
PubChem CID17298589
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-20(21-14-10-11-18-19(12-14)25-13-24-18)22-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-12H,13H2,(H2,21,22,23)
InChIKeyBZGJNRHVFBHPAT-UHFFFAOYSA-N
XLogP4.85
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenoxyphenyl)urea
CID 110372022
1-(4-fluorophenyl)-3-(2-phenoxyphenyl)urea
CID 971524
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
1-(1,3-benzodioxol-5-yl)-3-(2-propan-2-ylphenyl)urea
CID 17375783
1-(1,3-benzodioxol-5-yl)-3-(2,5-dimethoxyphenyl)urea
CID 17378931
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719
1-(1,3-benzodioxole-5-carbonyl)-N-(2-phenoxyphenyl)azetidine-3-carboxamide
CID 90512913
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
1-(1,3-benzodioxol-5-yl)-3-(3-hydroxyphenyl)urea
CID 108893703
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea (CID 17298589) is 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea is O=C(Nc1ccc2c(c1)OCO2)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea?
The InChIKey is BZGJNRHVFBHPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-20(21-14-10-11-18-19(12-14)25-13-24-18)22-16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-12H,13H2,(H2,21,22,23).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea has a molecular weight of 348.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 17298589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).