1,3-bis(1,3-benzodioxol-5-yl)urea

C15H12N2O5 — CID 6469762

IUPAC1,3-bis(1,3-benzodioxol-5-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N2O5/c18-15(16-9-1-3-11-13(5-9)21-7-19-11)17-10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2,(H2,16,17,18)
InChIKeySFNUQOFRUOOFRC-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.79
Rot. Bonds2

About 1,3-bis(1,3-benzodioxol-5-yl)urea

1,3-bis(1,3-benzodioxol-5-yl)urea (PubChem CID 6469762) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 1,3-bis(1,3-benzodioxol-5-yl)urea.

Molecular Properties

Compound Name1,3-bis(1,3-benzodioxol-5-yl)urea
PubChem CID6469762
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name1,3-bis(1,3-benzodioxol-5-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N2O5/c18-15(16-9-1-3-11-13(5-9)21-7-19-11)17-10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2,(H2,16,17,18)
InChIKeySFNUQOFRUOOFRC-UHFFFAOYSA-N
XLogP2.79
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
N-(2H-1,3-Benzodioxol-5-yl)-2-chloroacetamide
CID 735851
(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
N-(1,3-benzodioxol-5-yl)-2-methoxyacetamide
CID 837107
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-[4-(ethylsulfamoyl)phenyl]urea
CID 2206548
1-(1,3-Benzodioxol-5-yl)-3-(2,4-difluorophenyl)urea
CID 2554270
1-(1,3-Benzodioxol-5-yl)-3-(4-fluorophenyl)urea
CID 3704231

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,3-benzodioxol-5-yl)urea?
The IUPAC name of 1,3-bis(1,3-benzodioxol-5-yl)urea (CID 6469762) is 1,3-bis(1,3-benzodioxol-5-yl)urea.
What is the SMILES notation for 1,3-bis(1,3-benzodioxol-5-yl)urea?
The canonical SMILES for 1,3-bis(1,3-benzodioxol-5-yl)urea is O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-bis(1,3-benzodioxol-5-yl)urea?
The InChIKey is SFNUQOFRUOOFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-15(16-9-1-3-11-13(5-9)21-7-19-11)17-10-2-4-12-14(6-10)22-8-20-12/h1-6H,7-8H2,(H2,16,17,18).
What are the key properties of 1,3-bis(1,3-benzodioxol-5-yl)urea?
1,3-bis(1,3-benzodioxol-5-yl)urea has a molecular weight of 300.27 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,3-benzodioxol-5-yl)urea is sourced from PubChem (CID 6469762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).